{ "edges": [ { "id": "chembl sim search 1 output chembl structure 1 df", "source": "chembl sim search 1", "sourceHandle": "output", "target": "chembl structure 1", "targetHandle": "df" }, { "id": "chembl structure 1 output View tables 1 bundle", "source": "chembl structure 1", "sourceHandle": "output", "target": "View tables 1", "targetHandle": "bundle" }, { "id": "get bioactivity from uniprot 1 output View tables 2 bundle", "source": "get bioactivity from uniprot 1", "sourceHandle": "output", "target": "View tables 2", "targetHandle": "bundle" } ], "env": "LynxKite Graph Analytics", "nodes": [ { "data": { "__execution_delay": 0.0, "collapsed": null, "display": null, "error": null, "input_metadata": [], "meta": { "color": "orange", "doc": [ { "kind": "text", "value": "Run a ChEMBL similarity search and return the hits as a pandas DataFrame.\nIf the SMILES is invalid or an error occurs, prints a message and returns\nan empty DataFrame with the expected columns.\n\nParameters\n----------\nsmiles : str\n The SMILES string to search on.\ncutoff : int\n The minimum Tanimoto similarity (0\u2013100).\n\nReturns\n-------\npd.DataFrame\n Columns: 'molecule_chembl_id', 'similarity'" } ], "inputs": [], "name": "chembl sim search", "outputs": [ { "name": "output", "position": "right", "type": { "type": "None" } } ], "params": [ { "default": null, "name": "smiles", "type": { "type": "" } }, { "default": 70, "name": "cutoff", "type": { "type": "" } } ], "type": "basic" }, "params": { "cutoff": "60", "smiles": "CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 " }, "status": "done", "title": "chembl sim search" }, "dragHandle": ".bg-primary", "height": 304.0, "id": "chembl sim search 1", "position": { "x": -166.0, "y": 33.0 }, "type": "basic", "width": 391.0 }, { "data": { "display": null, "error": null, "input_metadata": [ {} ], "meta": { "color": "orange", "doc": [ { "kind": "text", "value": "Given a DataFrame with a column of ChEMBL molecule IDs, append\ncanonical SMILES, standard InChI, and standard InChIKey.\n\nParameters\n----------\ndf : pd.DataFrame\n Input DataFrame; must contain `id_col`.\nid_col : str\n Name of the column in `df` that holds ChEMBL IDs (e.g. 'CHEMBL1234').\ntimeout : int\n How many seconds to wait for the API (not currently used by chembl client,\n but reserved for future enhancements or custom wrappers).\n\nReturns\n-------\npd.DataFrame\n A new DataFrame with three additional columns:\n - smiles\n - standard_inchi\n - standard_inchi_key" } ], "inputs": [ { "name": "df", "position": "left", "type": { "type": "" } } ], "name": "chembl structure", "outputs": [ { "name": "output", "position": "right", "type": { "type": "None" } } ], "params": [ { "default": "molecule_chembl_id", "name": "id_col", "type": { "type": "" } }, { "default": 5, "name": "timeout", "type": { "type": "" } } ], "type": "basic" }, "params": { "id_col": "molecule_chembl_id", "timeout": 5.0 }, "status": "done", "title": "chembl structure" }, "dragHandle": ".bg-primary", "height": 321.0, "id": "chembl structure 1", "position": { "x": 339.5, "y": 29.5 }, "type": "basic", "width": 408.0 }, { "data": { "display": { "dataframes": { "df": { "columns": [ "molecule_chembl_id", "similarity", "smiles", "standard_inchi", "standard_inchi_key" ], "data": [ [ "CHEMBL3392029", "100", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27+/m0/s1", "XUKUURHRXDUEBC-RRPNLBNLSA-N" ], [ "CHEMBL393220", "100", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]", "InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1", "FQCKMBLVYCEXJB-MNSAWQCASA-L" ], [ "CHEMBL1487", "100", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", "XUKUURHRXDUEBC-KAYWLYCHSA-N" ], [ "CHEMBL1790017", "100", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/2C33H35FN2O5/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t2*26-,27-/m11/s1", "BJGBAZAEWKCPHZ-MQSFZEHASA-N" ], [ "CHEMBL3349878", "100", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1", "VVRPOCPLIUDBSA-CNZCJKERSA-M" ], [ "CHEMBL2074832", "91.9354856014251708984375", "CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O", "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m0/s1", "SOZOATLLFFVAPM-SVBPBHIXSA-N" ], [ "CHEMBL5314505", "89.0625", "CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C34H37FN2O6/c1-21(2)32-31(34(43)36-26-14-8-22(20-38)9-15-26)30(23-6-4-3-5-7-23)33(24-10-12-25(35)13-11-24)37(32)17-16-27(39)18-28(40)19-29(41)42/h3-15,21,27-28,38-40H,16-20H2,1-2H3,(H,36,43)(H,41,42)/t27-,28-/m1/s1", "PMFRPLBQEYHUMG-VSGBNLITSA-N" ], [ "CHEMBL3754604", "85.7142865657806396484375", "COC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(39)21-29(40)42-3/h4-17,22,27-28,38-39H,18-21H2,1-3H3,(H,36,41)/t27-,28-/m1/s1", "IRKGCTGBOBRSMG-VSGBNLITSA-N" ], [ "CHEMBL2347008", "85.7142865657806396484375", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NO", "InChI=1S/C33H36FN3O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)37(31)18-17-26(38)19-27(39)20-28(40)36-42/h3-16,21,26-27,38-39,42H,17-20H2,1-2H3,(H,35,41)(H,36,40)/t26-,27-/m1/s1", "LCQMZRDBGJAUEU-KAYWLYCHSA-N" ], [ "CHEMBL3753246", "84.615385532379150390625", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)Oc1ccccc1", "InChI=1S/C39H39FN2O5/c1-26(2)37-36(39(46)41-30-14-8-4-9-15-30)35(27-12-6-3-7-13-27)38(28-18-20-29(40)21-19-28)42(37)23-22-31(43)24-32(44)25-34(45)47-33-16-10-5-11-17-33/h3-21,26,31-32,43-44H,22-25H2,1-2H3,(H,41,46)/t31-,32-/m1/s1", "UIWIAGOOSOIKKD-ROJLCIKYSA-N" ], [ "CHEMBL3754171", "84.615385532379150390625", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)Oc1ccc(F)cc1", "InChI=1S/C39H38F2N2O5/c1-25(2)37-36(39(47)42-30-11-7-4-8-12-30)35(26-9-5-3-6-10-26)38(27-13-15-28(40)16-14-27)43(37)22-21-31(44)23-32(45)24-34(46)48-33-19-17-29(41)18-20-33/h3-20,25,31-32,44-45H,21-24H2,1-2H3,(H,42,47)/t31-,32-/m1/s1", "ZXBYNRNYVQSRDJ-ROJLCIKYSA-N" ], [ "CHEMBL1565", "83.0769240856170654296875", "CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1", "CZBPKFICAYVHHM-JWQCQUIFSA-N" ], [ "CHEMBL3753864", "81.8181812763214111328125", "CCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C35H39FN2O5/c1-4-43-30(41)22-29(40)21-28(39)19-20-38-33(23(2)3)32(35(42)37-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(38)25-15-17-26(36)18-16-25/h5-18,23,28-29,39-40H,4,19-22H2,1-3H3,(H,37,42)/t28-,29-/m1/s1", "CXXBPVDOSCOVJU-FQLXRVMXSA-N" ], [ "CHEMBL3752533", "79.7101438045501708984375", "COc1ccc(OC(=O)C[C@H](O)C[C@H](O)CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)cc1", "InChI=1S/C40H41FN2O6/c1-26(2)38-37(40(47)42-30-12-8-5-9-13-30)36(27-10-6-4-7-11-27)39(28-14-16-29(41)17-15-28)43(38)23-22-31(44)24-32(45)25-35(46)49-34-20-18-33(48-3)19-21-34/h4-21,26,31-32,44-45H,22-25H2,1-3H3,(H,42,47)/t31-,32-/m1/s1", "YXNVXKPCMMSAON-ROJLCIKYSA-N" ], [ "CHEMBL3753174", "79.4117629528045654296875", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCc1ccccc1", "InChI=1S/C40H41FN2O5/c1-27(2)38-37(40(47)42-32-16-10-5-11-17-32)36(29-14-8-4-9-15-29)39(30-18-20-31(41)21-19-30)43(38)23-22-33(44)24-34(45)25-35(46)48-26-28-12-6-3-7-13-28/h3-21,27,33-34,44-45H,22-26H2,1-2H3,(H,42,47)/t33-,34-/m1/s1", "DDVNTNXCTHUHDA-KKLWWLSJSA-N" ], [ "CHEMBL1623721", "79.0322601795196533203125", "CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O", "InChI=1S/C33H34FNO5/c1-21(2)31-30(33(40)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(34)16-14-23)35(31)18-17-26(36)19-27(37)20-28(38)39/h3-16,21,26-27,36-37H,17-20H2,1-2H3,(H,38,39)", "RHYZIJMRTYNJHW-UHFFFAOYSA-N" ], [ "CHEMBL3039114", "79.0322601795196533203125", "CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H34FNO5/c1-21(2)31-30(33(40)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(34)16-14-23)35(31)18-17-26(36)19-27(37)20-28(38)39/h3-16,21,26-27,36-37H,17-20H2,1-2H3,(H,38,39)/t26-,27-/m1/s1", "RHYZIJMRTYNJHW-KAYWLYCHSA-N" ], [ "CHEMBL2068728", "79.0322601795196533203125", "CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC([O-])CC(=O)[O-].[Ca+2]", "InChI=1S/C33H33FNO5.Ca/c1-21(2)31-30(33(40)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(34)16-14-23)35(31)18-17-26(36)19-27(37)20-28(38)39;/h3-16,21,26-27,36H,17-20H2,1-2H3,(H,38,39);/q-1;+2/p-1", "BYODXBNBKUHEIR-UHFFFAOYSA-M" ], [ "CHEMBL3753688", "78.2608687877655029296875", "C=CCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C36H39FN2O5/c1-4-21-44-31(42)23-30(41)22-29(40)19-20-39-34(24(2)3)33(36(43)38-28-13-9-6-10-14-28)32(25-11-7-5-8-12-25)35(39)26-15-17-27(37)18-16-26/h4-18,24,29-30,40-41H,1,19-23H2,2-3H3,(H,38,43)/t29-,30-/m1/s1", "UCJZSDSELLJXGC-LOYHVIPDSA-N" ], [ "CHEMBL4917293", "78.125", "COC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C32H33FN2O4/c1-21(2)30-29(32(38)34-25-12-8-5-9-13-25)28(22-10-6-4-7-11-22)31(23-14-16-24(33)17-15-23)35(30)19-18-26(36)20-27(37)39-3/h4-17,21,26,36H,18-20H2,1-3H3,(H,34,38)/t26-/m1/s1", "JGSHUQUHQOIXOJ-AREMUKBSSA-N" ], [ "CHEMBL3286923", "77.1428585052490234375", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)N1CCOCC1", "InChI=1S/C37H42FN3O5/c1-25(2)35-34(37(45)39-29-11-7-4-8-12-29)33(26-9-5-3-6-10-26)36(27-13-15-28(38)16-14-27)41(35)18-17-30(42)23-31(43)24-32(44)40-19-21-46-22-20-40/h3-16,25,30-31,42-43H,17-24H2,1-2H3,(H,39,45)/t30-,31-/m1/s1", "IIMXXBFYLHBYFY-FIRIVFDPSA-N" ], [ "CHEMBL3753218", "77.1428585052490234375", "CCCCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C37H43FN2O5/c1-4-5-22-45-32(43)24-31(42)23-30(41)20-21-40-35(25(2)3)34(37(44)39-29-14-10-7-11-15-29)33(26-12-8-6-9-13-26)36(40)27-16-18-28(38)19-17-27/h6-19,25,30-31,41-42H,4-5,20-24H2,1-3H3,(H,39,44)/t30-,31-/m1/s1", "MGYCETWIEYLTPX-FIRIVFDPSA-N" ], [ "CHEMBL3286922", "77.1428585052490234375", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCCN(C)C", "InChI=1S/C37H45FN4O4/c1-25(2)35-34(37(46)40-29-13-9-6-10-14-29)33(26-11-7-5-8-12-26)36(27-15-17-28(38)18-16-27)42(35)21-19-30(43)23-31(44)24-32(45)39-20-22-41(3)4/h5-18,25,30-31,43-44H,19-24H2,1-4H3,(H,39,45)(H,40,46)/t30-,31-/m1/s1", "SAECJVQBEGICIO-FIRIVFDPSA-N" ], [ "CHEMBL3752199", "76.0563373565673828125", "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OC1CCCCC1", "InChI=1S/C39H45FN2O5/c1-26(2)37-36(39(46)41-30-14-8-4-9-15-30)35(27-12-6-3-7-13-27)38(28-18-20-29(40)21-19-28)42(37)23-22-31(43)24-32(44)25-34(45)47-33-16-10-5-11-17-33/h3-4,6-9,12-15,18-21,26,31-33,43-44H,5,10-11,16-17,22-25H2,1-2H3,(H,41,46)/t31-,32-/m1/s1", "QHIQBYDQJZMODT-ROJLCIKYSA-N" ], [ "CHEMBL4642624", "75.675678253173828125", "C#CCOc1cccc(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1", "InChI=1S/C36H37FN2O6/c1-4-19-45-30-12-8-9-25(20-30)32-33(36(44)38-27-10-6-5-7-11-27)34(23(2)3)39(35(32)24-13-15-26(37)16-14-24)18-17-28(40)21-29(41)22-31(42)43/h1,5-16,20,23,28-29,40-41H,17-19,21-22H2,2-3H3,(H,38,44)(H,42,43)/t28-,29-/m1/s1", "WZTPCXXULVIDKH-FQLXRVMXSA-N" ], [ "CHEMBL3753514", "75", "CCCCCCCCCCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C43H55FN2O5/c1-4-5-6-7-8-9-10-17-28-51-38(49)30-37(48)29-36(47)26-27-46-41(31(2)3)40(43(50)45-35-20-15-12-16-21-35)39(32-18-13-11-14-19-32)42(46)33-22-24-34(44)25-23-33/h11-16,18-25,31,36-37,47-48H,4-10,17,26-30H2,1-3H3,(H,45,50)/t36-,37-/m1/s1", "VKZTXNRDKCNXMT-FZNHDDJXSA-N" ], [ "CHEMBL3753991", "75", "CCCCCCCCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C41H51FN2O5/c1-4-5-6-7-8-15-26-49-36(47)28-35(46)27-34(45)24-25-44-39(29(2)3)38(41(48)43-33-18-13-10-14-19-33)37(30-16-11-9-12-17-30)40(44)31-20-22-32(42)23-21-31/h9-14,16-23,29,34-35,45-46H,4-8,15,24-28H2,1-3H3,(H,43,48)/t34-,35-/m1/s1", "PRRDOSAWESVTRB-VSJLXWSYSA-N" ], [ "CHEMBL4646401", "72.72727489471435546875", "C#CCCCOc1cccc(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1", "InChI=1S/C38H41FN2O6/c1-4-5-9-21-47-32-14-10-11-27(22-32)34-35(38(46)40-29-12-7-6-8-13-29)36(25(2)3)41(37(34)26-15-17-28(39)18-16-26)20-19-30(42)23-31(43)24-33(44)45/h1,6-8,10-18,22,25,30-31,42-43H,5,9,19-21,23-24H2,2-3H3,(H,40,46)(H,44,45)/t30-,31-/m1/s1", "UAHWGIRTQIDDCM-FIRIVFDPSA-N" ], [ "CHEMBL1207411", "72.0588207244873046875", "CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C32H35FN2O6S/c1-21(2)30-32(42(40,41)34-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)31(23-13-15-24(33)16-14-23)35(30)18-17-26(36)19-27(37)20-28(38)39/h3-16,21,26-27,34,36-37H,17-20H2,1-2H3,(H,38,39)/t26-,27-/m1/s1", "HLYOYBVEFIOLMM-KAYWLYCHSA-N" ], [ "CHEMBL403646", "72.0588207244873046875", "CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C32H35FN2O6S.Na/c1-21(2)30-32(42(40,41)34-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)31(23-13-15-24(33)16-14-23)35(30)18-17-26(36)19-27(37)20-28(38)39;/h3-16,21,26-27,34,36-37H,17-20H2,1-2H3,(H,38,39);/q;+1/p-1/t26-,27-;/m1./s1", "LRLUYGQIWAIEDE-CNZCJKERSA-M" ], [ "CHEMBL3286924", "72.00000286102294921875", "COCCOCCOCCCNC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C41H52FN3O7/c1-29(2)39-38(41(49)44-33-13-8-5-9-14-33)37(30-11-6-4-7-12-30)40(31-15-17-32(42)18-16-31)45(39)21-19-34(46)27-35(47)28-36(48)43-20-10-22-51-25-26-52-24-23-50-3/h4-9,11-18,29,34-35,46-47H,10,19-28H2,1-3H3,(H,43,48)(H,44,49)/t34-,35-/m1/s1", "UURROAHOOJCPDL-VSJLXWSYSA-N" ], [ "CHEMBL4637930", "71.7948734760284423828125", "C#CCCCCOc1cccc(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1", "InChI=1S/C39H43FN2O6/c1-4-5-6-10-22-48-33-15-11-12-28(23-33)35-36(39(47)41-30-13-8-7-9-14-30)37(26(2)3)42(38(35)27-16-18-29(40)19-17-27)21-20-31(43)24-32(44)25-34(45)46/h1,7-9,11-19,23,26,31-32,43-44H,5-6,10,20-22,24-25H2,2-3H3,(H,41,47)(H,45,46)/t31-,32-/m1/s1", "KBCFGVGNXVDOIK-ROJLCIKYSA-N" ], [ "CHEMBL4643851", "70.886075496673583984375", "C#CCCCCCOc1cccc(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1", "InChI=1S/C40H45FN2O6/c1-4-5-6-7-11-23-49-34-16-12-13-29(24-34)36-37(40(48)42-31-14-9-8-10-15-31)38(27(2)3)43(39(36)28-17-19-30(41)20-18-28)22-21-32(44)25-33(45)26-35(46)47/h1,8-10,12-20,24,27,32-33,44-45H,5-7,11,21-23,25-26H2,2-3H3,(H,42,48)(H,46,47)/t32-,33-/m1/s1", "MXMMZRGTUKTEAE-CZNDPXEESA-N" ], [ "CHEMBL1206230", "70.5882370471954345703125", "CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C32H34F2N2O6S/c1-20(2)30-32(43(41,42)35-25-6-4-3-5-7-25)29(21-8-12-23(33)13-9-21)31(22-10-14-24(34)15-11-22)36(30)17-16-26(37)18-27(38)19-28(39)40/h3-15,20,26-27,35,37-38H,16-19H2,1-2H3,(H,39,40)/t26-,27-/m1/s1", "GGTAZNWAYMFTSE-KAYWLYCHSA-N" ], [ "CHEMBL471744", "70.5882370471954345703125", "CCc1c(C(=O)Nc2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C29H35FN2O5/c1-4-24-27(29(37)31-21-8-6-5-7-9-21)26(18(2)3)28(19-10-12-20(30)13-11-19)32(24)15-14-22(33)16-23(34)17-25(35)36/h5-13,18,22-23,33-34H,4,14-17H2,1-3H3,(H,31,37)(H,35,36)/t22-,23-/m1/s1", "SZXFALVZBQSUDK-DHIUTWEWSA-N" ], [ "CHEMBL252657", "70.5882370471954345703125", "CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C32H34F2N2O6S.Na/c1-20(2)30-32(43(41,42)35-25-6-4-3-5-7-25)29(21-8-12-23(33)13-9-21)31(22-10-14-24(34)15-11-22)36(30)17-16-26(37)18-27(38)19-28(39)40;/h3-15,20,26-27,35,37-38H,16-19H2,1-2H3,(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1", "VOHQKDZHOQWHFF-CNZCJKERSA-M" ], [ "CHEMBL3785802", "69.8412716388702392578125", "CCCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C", "InChI=1S/C30H31FN2O/c1-4-5-20-33-28(21(2)3)27(30(34)32-25-14-10-7-11-15-25)26(22-12-8-6-9-13-22)29(33)23-16-18-24(31)19-17-23/h6-19,21H,4-5,20H2,1-3H3,(H,32,34)", "OOIANRVAMLXIGO-UHFFFAOYSA-N" ], [ "CHEMBL1207773", "67.6470577716827392578125", "CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C28H35FN2O6S/c1-18(2)26-28(38(36,37)30(3)4)25(19-8-6-5-7-9-19)27(20-10-12-21(29)13-11-20)31(26)15-14-22(32)16-23(33)17-24(34)35/h5-13,18,22-23,32-33H,14-17H2,1-4H3,(H,34,35)/t22-,23-/m1/s1", "KDCOGIHYRPHRST-DHIUTWEWSA-N" ], [ "CHEMBL437790", "67.6470577716827392578125", "CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C28H35FN2O6S.Na/c1-18(2)26-28(38(36,37)30(3)4)25(19-8-6-5-7-9-19)27(20-10-12-21(29)13-11-20)31(26)15-14-22(32)16-23(33)17-24(34)35;/h5-13,18,22-23,32-33H,14-17H2,1-4H3,(H,34,35);/q;+1/p-1/t22-,23-;/m1./s1", "FVWZBBWAPPSBHO-OHIDFYLOSA-M" ], [ "CHEMBL1207774", "65.2173936367034912109375", "CC(C)c1c(S(=O)(=O)Nc2ccc(F)cc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C32H33F3N2O6S/c1-19(2)30-32(44(42,43)36-25-13-11-24(35)12-14-25)29(20-3-7-22(33)8-4-20)31(21-5-9-23(34)10-6-21)37(30)16-15-26(38)17-27(39)18-28(40)41/h3-14,19,26-27,36,38-39H,15-18H2,1-2H3,(H,40,41)/t26-,27-/m1/s1", "ZQHHYYLDSUBJLW-KAYWLYCHSA-N" ], [ "CHEMBL437795", "65.2173936367034912109375", "CC(C)c1c(S(=O)(=O)Nc2ccc(F)cc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C32H33F3N2O6S.Na/c1-19(2)30-32(44(42,43)36-25-13-11-24(35)12-14-25)29(20-3-7-22(33)8-4-20)31(21-5-9-23(34)10-6-21)37(30)16-15-26(38)17-27(39)18-28(40)41;/h3-14,19,26-27,36,38-39H,15-18H2,1-2H3,(H,40,41);/q;+1/p-1/t26-,27-;/m1./s1", "KUBLAWXKXKQMHY-CNZCJKERSA-M" ], [ "CHEMBL1207790", "64.705884456634521484375", "CNS(=O)(=O)c1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c1C(C)C", "InChI=1S/C27H32F2N2O6S/c1-16(2)25-27(38(36,37)30-3)24(17-4-8-19(28)9-5-17)26(18-6-10-20(29)11-7-18)31(25)13-12-21(32)14-22(33)15-23(34)35/h4-11,16,21-22,30,32-33H,12-15H2,1-3H3,(H,34,35)/t21-,22-/m1/s1", "IBOSEKWSKZSPPO-FGZHOGPDSA-N" ], [ "CHEMBL438884", "64.705884456634521484375", "CNS(=O)(=O)c1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C.[Na+]", "InChI=1S/C27H32F2N2O6S.Na/c1-16(2)25-27(38(36,37)30-3)24(17-4-8-19(28)9-5-17)26(18-6-10-20(29)11-7-18)31(25)13-12-21(32)14-22(33)15-23(34)35;/h4-11,16,21-22,30,32-33H,12-15H2,1-3H3,(H,34,35);/q;+1/p-1/t21-,22-;/m1./s1", "KSDNVHHMLHFKPT-HLUKFBSCSA-M" ], [ "CHEMBL253054", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)N2CCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C29H35FN2O6S.Na/c1-19(2)27-29(39(37,38)31-14-6-15-31)26(20-7-4-3-5-8-20)28(21-9-11-22(30)12-10-21)32(27)16-13-23(33)17-24(34)18-25(35)36;/h3-5,7-12,19,23-24,33-34H,6,13-18H2,1-2H3,(H,35,36);/q;+1/p-1/t23-,24-;/m1./s1", "PTLGIFDFEVWAQZ-BNUOYOMZSA-M" ], [ "CHEMBL1206237", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)N2CCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C29H35FN2O6S/c1-19(2)27-29(39(37,38)31-14-6-15-31)26(20-7-4-3-5-8-20)28(21-9-11-22(30)12-10-21)32(27)16-13-23(33)17-24(34)18-25(35)36/h3-5,7-12,19,23-24,33-34H,6,13-18H2,1-2H3,(H,35,36)/t23-,24-/m1/s1", "BQXHXGRMRBSNNL-DNQXCXABSA-N" ], [ "CHEMBL252855", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)NCc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C33H36F2N2O6S.Na/c1-21(2)31-33(44(42,43)36-20-22-6-4-3-5-7-22)30(23-8-12-25(34)13-9-23)32(24-10-14-26(35)15-11-24)37(31)17-16-27(38)18-28(39)19-29(40)41;/h3-15,21,27-28,36,38-39H,16-20H2,1-2H3,(H,40,41);/q;+1/p-1/t27-,28-;/m1./s1", "KRIYGGGDUJATBE-LTRMXRMOSA-M" ], [ "CHEMBL1207680", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)N2CCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C30H37FN2O6S/c1-20(2)28-30(40(38,39)32-15-6-7-16-32)27(21-8-4-3-5-9-21)29(22-10-12-23(31)13-11-22)33(28)17-14-24(34)18-25(35)19-26(36)37/h3-5,8-13,20,24-25,34-35H,6-7,14-19H2,1-2H3,(H,36,37)/t24-,25-/m1/s1", "BSBVKEVELKNWKN-JWQCQUIFSA-N" ], [ "CHEMBL429487", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)N2CCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C30H37FN2O6S.Na/c1-20(2)28-30(40(38,39)32-15-6-7-16-32)27(21-8-4-3-5-9-21)29(22-10-12-23(31)13-11-22)33(28)17-14-24(34)18-25(35)19-26(36)37;/h3-5,8-13,20,24-25,34-35H,6-7,14-19H2,1-2H3,(H,36,37);/q;+1/p-1/t24-,25-;/m1./s1", "YSMGMSYFLKNYBR-JIMLSGQQSA-M" ], [ "CHEMBL1206234", "63.8888895511627197265625", "CC(C)c1c(S(=O)(=O)NCc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H36F2N2O6S/c1-21(2)31-33(44(42,43)36-20-22-6-4-3-5-7-22)30(23-8-12-25(34)13-9-23)32(24-10-14-26(35)15-11-24)37(31)17-16-27(38)18-28(39)19-29(40)41/h3-15,21,27-28,36,38-39H,16-20H2,1-2H3,(H,40,41)/t27-,28-/m1/s1", "HSCBDNLELBVHGZ-VSGBNLITSA-N" ], [ "CHEMBL253055", "63.235294818878173828125", "CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C28H34F2N2O6S.Na/c1-17(2)26-28(39(37,38)31(3)4)25(18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)32(26)14-13-22(33)15-23(34)16-24(35)36;/h5-12,17,22-23,33-34H,13-16H2,1-4H3,(H,35,36);/q;+1/p-1/t22-,23-;/m1./s1", "DJWHFIFOFQASPX-OHIDFYLOSA-M" ], [ "CHEMBL1206238", "63.235294818878173828125", "CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C28H34F2N2O6S/c1-17(2)26-28(39(37,38)31(3)4)25(18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)32(26)14-13-22(33)15-23(34)16-24(35)36/h5-12,17,22-23,33-34H,13-16H2,1-4H3,(H,35,36)/t22-,23-/m1/s1", "CLOMKGVJEPOUAM-DHIUTWEWSA-N" ], [ "CHEMBL437783", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N2CCCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C31H39FN2O6S.Na/c1-21(2)29-31(41(39,40)33-16-7-4-8-17-33)28(22-9-5-3-6-10-22)30(23-11-13-24(32)14-12-23)34(29)18-15-25(35)19-26(36)20-27(37)38;/h3,5-6,9-14,21,25-26,35-36H,4,7-8,15-20H2,1-2H3,(H,37,38);/q;+1/p-1/t25-,26-;/m1./s1", "DCZIYTBILZNMOD-JUJAXGASSA-M" ], [ "CHEMBL402622", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N2CCN(C)CC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C31H40FN3O6S.Na/c1-21(2)29-31(42(40,41)34-17-15-33(3)16-18-34)28(22-7-5-4-6-8-22)30(23-9-11-24(32)12-10-23)35(29)14-13-25(36)19-26(37)20-27(38)39;/h4-12,21,25-26,36-37H,13-20H2,1-3H3,(H,38,39);/q;+1/p-1/t25-,26-;/m1./s1", "RCHVIHWODXBJLB-JUJAXGASSA-M" ], [ "CHEMBL403430", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C34H39FN2O6S.Na/c1-23(2)32-34(44(42,43)36(3)22-24-10-6-4-7-11-24)31(25-12-8-5-9-13-25)33(26-14-16-27(35)17-15-26)37(32)19-18-28(38)20-29(39)21-30(40)41;/h4-17,23,28-29,38-39H,18-22H2,1-3H3,(H,40,41);/q;+1/p-1/t28-,29-;/m1./s1", "VKGKLSMOHROHEH-PQQSRXGVSA-M" ], [ "CHEMBL1207397", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N2CCN(C)CC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C31H40FN3O6S/c1-21(2)29-31(42(40,41)34-17-15-33(3)16-18-34)28(22-7-5-4-6-8-22)30(23-9-11-24(32)12-10-23)35(29)14-13-25(36)19-26(37)20-27(38)39/h4-12,21,25-26,36-37H,13-20H2,1-3H3,(H,38,39)/t25-,26-/m1/s1", "NQPKWFHCRRXCBX-CLJLJLNGSA-N" ], [ "CHEMBL1207407", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C34H39FN2O6S/c1-23(2)32-34(44(42,43)36(3)22-24-10-6-4-7-11-24)31(25-12-8-5-9-13-25)33(26-14-16-27(35)17-15-26)37(32)19-18-28(38)20-29(39)21-30(40)41/h4-17,23,28-29,38-39H,18-22H2,1-3H3,(H,40,41)/t28-,29-/m1/s1", "AQOMJINFEWKPKT-FQLXRVMXSA-N" ], [ "CHEMBL1207771", "63.0136966705322265625", "CC(C)c1c(S(=O)(=O)N2CCCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C31H39FN2O6S/c1-21(2)29-31(41(39,40)33-16-7-4-8-17-33)28(22-9-5-3-6-10-22)30(23-11-13-24(32)14-12-23)34(29)18-15-25(35)19-26(36)20-27(37)38/h3,5-6,9-14,21,25-26,35-36H,4,7-8,15-20H2,1-2H3,(H,37,38)/t25-,26-/m1/s1", "LXVJYAUJKJERKM-CLJLJLNGSA-N" ], [ "CHEMBL1206233", "62.666666507720947265625", "CC(C)c1c(S(=O)(=O)Nc2cccc(O)c2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C32H34F2N2O7S/c1-19(2)30-32(44(42,43)35-24-4-3-5-25(37)16-24)29(20-6-10-22(33)11-7-20)31(21-8-12-23(34)13-9-21)36(30)15-14-26(38)17-27(39)18-28(40)41/h3-13,16,19,26-27,35,37-39H,14-15,17-18H2,1-2H3,(H,40,41)/t26-,27-/m1/s1", "LAGMRFZEFTXAGD-KAYWLYCHSA-N" ], [ "CHEMBL252854", "62.666666507720947265625", "CC(C)c1c(S(=O)(=O)Nc2cccc(O)c2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C32H34F2N2O7S.Na/c1-19(2)30-32(44(42,43)35-24-4-3-5-25(37)16-24)29(20-6-10-22(33)11-7-20)31(21-8-12-23(34)13-9-21)36(30)15-14-26(38)17-27(39)18-28(40)41;/h3-13,16,19,26-27,35,37-39H,14-15,17-18H2,1-2H3,(H,40,41);/q;+1/p-1/t26-,27-;/m1./s1", "YABRRLWGFVDJNE-CNZCJKERSA-M" ], [ "CHEMBL3349880", "62.5", "CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C20H24Br2FNO4.Na/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-14(25)9-15(26)10-16(27)28;/h3-6,11,14-15,25-26H,7-10H2,1-2H3,(H,27,28);/q;+1/p-1/t14-,15-;/m1./s1", "DRUMMLUABVCROD-CTHHTMFSSA-M" ], [ "CHEMBL3558523", "62.5", "CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C20H24Br2FNO4/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-14(25)9-15(26)10-16(27)28/h3-6,11,14-15,25-26H,7-10H2,1-2H3,(H,27,28)/t14-,15-/m1/s1", "XKACIQXLWLWJBV-HUUCEWRRSA-N" ], [ "CHEMBL404672", "61.6438329219818115234375", "CC(C)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C34H38F2N2O6S.Na/c1-22(2)32-34(45(43,44)37(3)21-23-7-5-4-6-8-23)31(24-9-13-26(35)14-10-24)33(25-11-15-27(36)16-12-25)38(32)18-17-28(39)19-29(40)20-30(41)42;/h4-16,22,28-29,39-40H,17-21H2,1-3H3,(H,41,42);/q;+1/p-1/t28-,29-;/m1./s1", "PDCQTJUTKMCQFI-PQQSRXGVSA-M" ], [ "CHEMBL1207425", "61.6438329219818115234375", "CC(C)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C34H38F2N2O6S/c1-22(2)32-34(45(43,44)37(3)21-23-7-5-4-6-8-23)31(24-9-13-26(35)14-10-24)33(25-11-15-27(36)16-12-25)38(32)18-17-28(39)19-29(40)20-30(41)42/h4-16,22,28-29,39-40H,17-21H2,1-3H3,(H,41,42)/t28-,29-/m1/s1", "WOVMFAYOKUVUBG-FQLXRVMXSA-N" ], [ "CHEMBL401949", "61.333334445953369140625", "CC(C)c1c(S(=O)(=O)N2CCOCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C30H37FN2O7S.Na/c1-20(2)28-30(41(38,39)32-14-16-40-17-15-32)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)33(28)13-12-24(34)18-25(35)19-26(36)37;/h3-11,20,24-25,34-35H,12-19H2,1-2H3,(H,36,37);/q;+1/p-1/t24-,25-;/m1./s1", "KBEKUNMCQFEIGR-JIMLSGQQSA-M" ], [ "CHEMBL1207385", "61.333334445953369140625", "CC(C)c1c(S(=O)(=O)N2CCOCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C30H37FN2O7S/c1-20(2)28-30(41(38,39)32-14-16-40-17-15-32)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)33(28)13-12-24(34)18-25(35)19-26(36)37/h3-11,20,24-25,34-35H,12-19H2,1-2H3,(H,36,37)/t24-,25-/m1/s1", "XLVZRBHNHHAPDT-JWQCQUIFSA-N" ], [ "CHEMBL265899", "61.038959026336669921875", "CC(C)c1c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C33H35F2N3O7S.Na/c1-19(2)30-32(46(44,45)37-25-5-3-4-22(16-25)33(36)43)29(20-6-10-23(34)11-7-20)31(21-8-12-24(35)13-9-21)38(30)15-14-26(39)17-27(40)18-28(41)42;/h3-13,16,19,26-27,37,39-40H,14-15,17-18H2,1-2H3,(H2,36,43)(H,41,42);/q;+1/p-1/t26-,27-;/m1./s1", "AITZBZFYWFITNO-CNZCJKERSA-M" ], [ "CHEMBL452139", "61.038959026336669921875", "CC(C)c1c(S(=O)(=O)NN2CCOCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C30H38FN3O7S/c1-20(2)28-30(42(39,40)32-33-14-16-41-17-15-33)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)34(28)13-12-24(35)18-25(36)19-26(37)38/h3-11,20,24-25,32,35-36H,12-19H2,1-2H3,(H,37,38)/t24-,25-/m1/s1", "JTEYLTFAZGWIKD-JWQCQUIFSA-N" ], [ "CHEMBL1206363", "61.038959026336669921875", "CC(C)c1c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H35F2N3O7S/c1-19(2)30-32(46(44,45)37-25-5-3-4-22(16-25)33(36)43)29(20-6-10-23(34)11-7-20)31(21-8-12-24(35)13-9-21)38(30)15-14-26(39)17-27(40)18-28(41)42/h3-13,16,19,26-27,37,39-40H,14-15,17-18H2,1-2H3,(H2,36,43)(H,41,42)/t26-,27-/m1/s1", "ISGYEZYSDGYQME-KAYWLYCHSA-N" ], [ "CHEMBL527431", "60.294115543365478515625", "Cn1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)Nc1ccccc1", "InChI=1S/C31H30F2N2O5/c1-35-26(16-15-24(36)17-25(37)18-27(38)39)28(19-7-11-21(32)12-8-19)29(20-9-13-22(33)14-10-20)30(35)31(40)34-23-5-3-2-4-6-23/h2-14,24-25,36-37H,15-18H2,1H3,(H,34,40)(H,38,39)/t24-,25-/m1/s1", "FCFBTCOXDIMJOM-JWQCQUIFSA-N" ], [ "CHEMBL394937", "60.000002384185791015625", "CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1.[Na+]", "InChI=1S/C33H35FN2O5.Na/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1", "KPLDGCHOLKPSQL-CNZCJKERSA-M" ], [ "CHEMBL1207331", "60.000002384185791015625", "CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1", "InChI=1S/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", "PNRWKVJLHGHICL-KAYWLYCHSA-N" ], [ "CHEMBL404671", "60.000002384185791015625", "CC(C)c1c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]", "InChI=1S/C33H35F2N3O7S.Na/c1-19(2)30-32(46(44,45)37-25-13-7-22(8-14-25)33(36)43)29(20-3-9-23(34)10-4-20)31(21-5-11-24(35)12-6-21)38(30)16-15-26(39)17-27(40)18-28(41)42;/h3-14,19,26-27,37,39-40H,15-18H2,1-2H3,(H2,36,43)(H,41,42);/q;+1/p-1/t26-,27-;/m1./s1", "NVFYTHYBPAFTOI-CNZCJKERSA-M" ], [ "CHEMBL1207424", "60.000002384185791015625", "CC(C)c1c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "InChI=1S/C33H35F2N3O7S/c1-19(2)30-32(46(44,45)37-25-13-7-22(8-14-25)33(36)43)29(20-3-9-23(34)10-4-20)31(21-5-11-24(35)12-6-21)38(30)16-15-26(39)17-27(40)18-28(41)42/h3-14,19,26-27,37,39-40H,15-18H2,1-2H3,(H2,36,43)(H,41,42)/t26-,27-/m1/s1", "IYYNBGFAAGBIAX-KAYWLYCHSA-N" ] ] } }, "other": {}, "relations": [] }, "error": null, "input_metadata": [ { "dataframes": { "df": { "columns": [ "molecule_chembl_id", "similarity", "smiles", "standard_inchi", "standard_inchi_key" ] } }, "other": {}, "relations": [] } ], "meta": { "color": "orange", "doc": null, "inputs": [ { "name": "bundle", "position": "left", "type": { "type": "" } } ], "name": "View tables", "outputs": [], "params": [ { "default": 100, "name": "limit", "type": { "type": "" } } ], "type": "table_view" }, "params": { "limit": 100.0 }, "status": "done", "title": "View tables" }, "dragHandle": ".bg-primary", "height": 200.0, "id": "View tables 1", "position": { "x": 922.5, "y": 93.5 }, "type": "table_view", "width": 200.0 }, { "data": { "display": null, "error": null, "input_metadata": [], "meta": { "color": "orange", "doc": [ { "kind": "text", "value": "Fetch bioactivity data from ChEMBL for a given UniProt ID." } ], "inputs": [], "name": "get bioactivity from uniprot", "outputs": [ { "name": "output", "position": "right", "type": { "type": "None" } } ], "params": [ { "default": "Q9NZQ7", "name": "uniprot_id", "type": { "type": "" } } ], "type": "basic" }, "params": { "uniprot_id": "Q9NZQ7" }, "status": "done", "title": "get bioactivity from uniprot" }, "dragHandle": ".bg-primary", "height": 200.0, "id": "get bioactivity from uniprot 1", "position": { "x": -101.5, "y": 399.5 }, "type": "basic", "width": 200.0 }, { "data": { "display": { "dataframes": { "df": { "columns": [ "action_type", "activity_comment", "activity_id", "activity_properties", "assay_chembl_id", "assay_description", "assay_type", "assay_variant_accession", "assay_variant_mutation", "bao_endpoint", "bao_format", "bao_label", "canonical_smiles", "data_validity_comment", "data_validity_description", "document_chembl_id", "document_journal", "document_year", "ligand_efficiency", "molecule_chembl_id", "molecule_pref_name", "parent_molecule_chembl_id", "pchembl_value", "potential_duplicate", "qudt_units", "record_id", "relation", "src_id", "standard_flag", "standard_relation", "standard_text_value", "standard_type", "standard_units", "standard_upper_value", "standard_value", "target_chembl_id", "target_organism", "target_pref_name", "target_tax_id", "text_value", "toid", "type", "units", "uo_units", "upper_value", "value" ], "data": [ [ "None", "None", 15614399, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC(CO)(CO)CO", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '17.58', 'le': '0.33', 'lle': '5.16', 'sei': '8.19'}", "CHEMBL3582257", "None", "CHEMBL3582257", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2483175, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.006" ], [ "None", "None", 15614400, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '16.90', 'le': '0.31', 'lle': '2.96', 'sei': '8.93'}", "CHEMBL3582256", "None", "CHEMBL3582256", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2483174, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.006" ], [ "None", "None", 15614401, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CNCC3CCC(=O)N3)cc2)cccc1-c1ccccc1", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '14.97', 'le': '0.27', 'lle': '1.39', 'sei': '11.91'}", "CHEMBL3582255", "None", "CHEMBL3582255", "6.00", 0, "http://www.openphacts.org/units/Nanomolar", 2483173, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1010.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "1.01" ], [ "None", "None", 15614402, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN[C@H](C)C(=O)O)cc2Cl)cccc1-c1ccccc1", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '20.06', 'le': '0.39', 'lle': '2.76', 'sei': '14.04'}", "CHEMBL3582254", "None", "CHEMBL3582254", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2483172, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.006" ], [ "None", "None", 15614403, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1cc(CN2CCC(C(=O)NCCO)CC2)ccc1OCc1cccc(-c2ccccc2)c1C", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '14.72', 'le': '0.27', 'lle': '2.09', 'sei': '11.26'}", "CHEMBL3582253", "None", "CHEMBL3582253", "6.96", 0, "http://www.openphacts.org/units/Nanomolar", 2483171, "=", 1, 1, "=", "None", "IC50", "nM", "None", "110.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.11" ], [ "None", "None", 15614404, "[]", "CHEMBL3583018", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "None", "None", "CHEMBL3580542", "ACS Med Chem Lett", 2015, "{'bei': '17.29', 'le': '0.32', 'lle': '2.52', 'sei': '12.05'}", "CHEMBL3582252", "None", "CHEMBL3582252", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2483170, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.006" ], [ "None", "None", 18080412, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '18.33', 'le': '0.34', 'lle': '3.74', 'sei': '11.95'}", "CHEMBL4081869", "None", "CHEMBL4081869", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2997001, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "100.0", "6.0" ], [ "None", "None", 18080413, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN3CCCCC3C(=O)O)cc2Br)cccc1-c1ccccc1", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '13.83', 'le': '0.29', 'lle': '0.40', 'sei': '13.73'}", "CHEMBL4099869", "None", "CHEMBL4099869", "6.84", 0, "http://www.openphacts.org/units/Nanomolar", 2997002, "=", 1, 1, "=", "None", "IC50", "nM", "None", "146.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "146.0" ], [ "None", "None", 18080414, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '18.46', 'le': '0.34', 'lle': '3.87', 'sei': '10.69'}", "CHEMBL4089730", "None", "CHEMBL4089730", "7.75", 0, "http://www.openphacts.org/units/Nanomolar", 2997003, "=", 1, 1, "=", "None", "IC50", "nM", "None", "18.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "18.0" ], [ "None", "None", 18080415, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN[C@@H](CO)C(C)C", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '18.29', 'le': '0.34', 'lle': '2.86', 'sei': '13.71'}", "CHEMBL4061613", "None", "CHEMBL4061613", "8.22", 0, "http://www.openphacts.org/units/Nanomolar", 2997004, "=", 1, 1, "=", "None", "IC50", "nM", "None", "6.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "100.0", "6.0" ], [ "None", "None", 18080416, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(=O)O)cc2F)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '14.21', 'le': '0.27', 'lle': '2.88', 'sei': '7.30'}", "CHEMBL4062686", "None", "CHEMBL4062686", "7.10", 0, "http://www.openphacts.org/units/Nanomolar", 2997005, "=", 1, 1, "=", "None", "IC50", "nM", "None", "80.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "80.0" ], [ "None", "None", 18080417, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cccc(C#N)c2)cc1OCc1cccc(-c2ccc3c(c2)OCCO3)c1C", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '14.54', 'le': '0.27', 'lle': '3.34', 'sei': '6.64'}", "CHEMBL4084368", "None", "CHEMBL4084368", "8.65", 0, "http://www.openphacts.org/units/Nanomolar", 2997006, "=", 1, 1, "=", "None", "IC50", "nM", "None", "2.25", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "2.25" ], [ "None", "None", 18080418, "[]", "CHEMBL4017391", "Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@H](O)C[C@@H]3C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "{'bei': '13.81', 'le': '0.26', 'lle': '2.71', 'sei': '7.29'}", "CHEMBL4071326", "None", "CHEMBL4071326", "8.85", 0, "http://www.openphacts.org/units/Nanomolar", 2997007, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.4", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.4" ], [ "None", "None", 18080419, "[]", "CHEMBL4017390", "Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "None", "CHEMBL4081869", "None", "CHEMBL4081869", "None", 0, "http://www.openphacts.org/units/Nanomolar", 2997001, "<", 1, 1, "<", "None", "Kd", "nM", "None", "1000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "1.0" ], [ "None", "None", 18080420, "[]", "CHEMBL4017390", "Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(=O)O)cc2F)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4014356", "J Med Chem", 2017, "None", "CHEMBL4062686", "None", "CHEMBL4062686", "None", 0, "http://www.openphacts.org/units/Nanomolar", 2997005, "<", 1, 1, "<", "None", "Kd", "nM", "None", "1000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "1.0" ], [ "None", "None", 18748906, "[]", "CHEMBL4263391", "Inhibition of PD-L1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "None", "None", "CHEMBL4261578", "J Med Chem", 2018, "{'bei': '18.46', 'le': '0.34', 'lle': '3.87', 'sei': '10.69'}", "CHEMBL4089730", "None", "CHEMBL4089730", "7.75", 1, "http://www.openphacts.org/units/Nanomolar", 3115239, "=", 1, 1, "=", "None", "IC50", "nM", "None", "18.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "18.0" ], [ "None", "None", 18748907, "[]", "CHEMBL4263391", "Inhibition of PD-L1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN3CCCCC3C(=O)O)cc2Br)cccc1-c1ccccc1", "None", "None", "CHEMBL4261578", "J Med Chem", 2018, "{'bei': '13.83', 'le': '0.29', 'lle': '0.40', 'sei': '13.73'}", "CHEMBL4099869", "None", "CHEMBL4099869", "6.84", 1, "http://www.openphacts.org/units/Nanomolar", 3115240, "=", 1, 1, "=", "None", "IC50", "nM", "None", "146.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "146.0" ], [ "None", "None", 18748908, "[]", "CHEMBL4263391", "Inhibition of PD-L1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(=O)O)cc2F)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4261578", "J Med Chem", 2018, "{'bei': '14.21', 'le': '0.27', 'lle': '2.88', 'sei': '7.30'}", "CHEMBL4062686", "None", "CHEMBL4062686", "7.10", 1, "http://www.openphacts.org/units/Nanomolar", 3115241, "=", 1, 1, "=", "None", "IC50", "nM", "None", "80.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "80.0" ], [ "None", "None", 18748909, "[]", "CHEMBL4263391", "Inhibition of PD-L1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCCC2C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)N(C)CC(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C", "None", "None", "CHEMBL4261578", "J Med Chem", 2018, "{'bei': '4.79', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4288470", "None", "CHEMBL4288470", "8.28", 0, "http://www.openphacts.org/units/Nanomolar", 3115242, "=", 1, 1, "=", "None", "IC50", "nM", "None", "5.2", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "5.2" ], [ "None", "None", 18946707, "[]", "CHEMBL4330219", "Binding affinity to Fc-labeled human PDL1 expressed in Escherichia coli by SPR spectroscopy", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "None", "None", "CHEMBL4330055", "J Med Chem", 2019, "{'bei': '4.04', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4514311", "None", "CHEMBL4514311", "6.29", 0, "http://www.openphacts.org/units/Nanomolar", 3160855, "=", 1, 1, "=", "None", "Kd", "nM", "None", "510.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "0.51" ], [ "None", "None", 18946708, "[]", "CHEMBL4330219", "Binding affinity to Fc-labeled human PDL1 expressed in Escherichia coli by SPR spectroscopy", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O", "None", "None", "CHEMBL4330055", "J Med Chem", 2019, "{'bei': '4.07', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4472675", "None", "CHEMBL4472675", "5.95", 0, "http://www.openphacts.org/units/Nanomolar", 3160856, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1130.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "1.13" ], [ "None", "None", 18946709, "[]", "CHEMBL4330219", "Binding affinity to Fc-labeled human PDL1 expressed in Escherichia coli by SPR spectroscopy", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", "None", "None", "CHEMBL4330055", "J Med Chem", 2019, "{'bei': '2.78', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4521256", "None", "CHEMBL4521256", "4.66", 0, "http://www.openphacts.org/units/Nanomolar", 3160857, "=", 1, 1, "=", "None", "Kd", "nM", "None", "22000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "22.0" ], [ "None", "None", 18946710, "[]", "CHEMBL4330220", "Binding affinity to biotinylated PDL1 (unknown origin) expressed in Escherichia coli OmpX membrane after 45 mins by SAPE-fluorescence based flow cytometry", "B", "None", "None", "BAO_0000034", "BAO_0000249", "cell membrane format", "C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O", "None", "None", "CHEMBL4330055", "J Med Chem", 2019, "{'bei': '1.62', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4530490", "None", "CHEMBL4530490", "4.03", 0, "http://www.openphacts.org/units/Nanomolar", 3160862, "=", 1, 1, "=", "None", "Kd", "nM", "None", "94000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "94.0" ], [ "None", "Nd(Insoluble)", 19370118, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "COC(=O)c1[nH]cc(-c2ccccc2F)c1N", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "None", "CHEMBL4445079", "None", "CHEMBL4445079", "None", 0, "None", 3242009, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "Nd(Insoluble)", 19370119, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "Cc1nc2cc(-c3ccccc3)ccc2o1", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "None", "CHEMBL1612963", "None", "CHEMBL1612963", "None", 0, "None", 3242008, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "None", 19370120, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "Cc1cc(Nc2ccc(N3CCCC3)cc2)ncn1", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "{'bei': '9.92', 'le': '0.18', 'lle': '-0.61', 'sei': '6.15'}", "CHEMBL4568037", "None", "CHEMBL4568037", "2.52", 0, "http://www.openphacts.org/units/Nanomolar", 3242007, "=", 1, 1, "=", "None", "Kd", "nM", "None", "3000000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "mM", "UO_0000065", "None", "3.0" ], [ "None", "None", 19370121, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "COc1ccc2nc(NCc3cccnc3)sc2c1", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "{'bei': '9.35', 'le': '0.18', 'lle': '-0.77', 'sei': '5.39'}", "CHEMBL1411567", "None", "CHEMBL1411567", "2.54", 0, "http://www.openphacts.org/units/Nanomolar", 3242006, "=", 1, 1, "=", "None", "Kd", "nM", "None", "2900000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "mM", "UO_0000065", "None", "2.9" ], [ "None", "Nd(Insoluble)", 19370122, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "CC(=O)Oc1ccc2c(c1)cc(C)n2C", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "None", "CHEMBL1441223", "None", "CHEMBL1441223", "None", 0, "None", 3242005, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "None", 19370123, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "CCN(CC)C(=O)c1sc2ccccc2c1Cl", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "{'bei': '9.72', 'le': '0.21', 'lle': '-1.44', 'sei': '12.81'}", "CHEMBL4096343", "None", "CHEMBL4096343", "2.60", 0, "http://www.openphacts.org/units/Nanomolar", 3242004, "=", 1, 1, "=", "None", "Kd", "nM", "None", "2500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "mM", "UO_0000065", "None", "2.5" ], [ "None", "None", 19370124, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "{'bei': '10.62', 'le': '0.23', 'lle': '-1.25', 'sei': '10.81'}", "CHEMBL4567983", "None", "CHEMBL4567983", "2.72", 0, "http://www.openphacts.org/units/Nanomolar", 3242003, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1900000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "mM", "UO_0000065", "None", "1.9" ], [ "None", "None", 19370125, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "Cc1sc(N)nc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "{'bei': '11.76', 'le': '0.23', 'lle': '0.45', 'sei': '5.09'}", "CHEMBL1375716", "None", "CHEMBL1375716", "2.92", 0, "http://www.openphacts.org/units/Nanomolar", 3242002, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1200000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "mM", "UO_0000065", "None", "1.2" ], [ "None", "Nd(Insoluble)", 19370126, "[]", "CHEMBL4424698", "Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy", "B", "None", "UNDEFINED MUTATION", "BAO_0000034", "BAO_0000019", "assay format", "Oc1ncnc2scc(-c3ccccc3)c12", "None", "None", "CHEMBL4422676", "Bioorg Med Chem Lett", 2019, "None", "CHEMBL1369722", "None", "CHEMBL1369722", "None", 0, "None", 3242001, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "None", 19454187, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '11.03', 'le': '0.20', 'lle': '4.12', 'sei': '3.89'}", "CHEMBL4456990", "None", "CHEMBL4456990", "9.70", 0, "http://www.openphacts.org/units/Nanomolar", 3250567, "=", 1, 1, "=", "None", "Kd", "nM", "None", "0.2", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "0.2" ], [ "None", "None", 19454188, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3cccc(COc4ccc(CN[C@H](CO)C(=O)O)c(OCc5cncc(C#N)c5)c4)c3C)c2C)ccc1CN[C@H](CO)C(=O)O", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '12.24', 'le': '0.23', 'lle': '4.63', 'sei': '4.55'}", "CHEMBL4578475", "None", "CHEMBL4578475", "9.68", 0, "http://www.openphacts.org/units/Nanomolar", 3250566, "=", 1, 1, "=", "None", "Kd", "nM", "None", "0.21", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "0.21" ], [ "None", "None", 19454189, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN[C@H](CO)C(=O)O)cc2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1C", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '12.54', 'le': '0.23', 'lle': '4.50', 'sei': '4.69'}", "CHEMBL4460716", "None", "CHEMBL4460716", "9.54", 0, "http://www.openphacts.org/units/Nanomolar", 3250565, "=", 1, 1, "=", "None", "Kd", "nM", "None", "0.29", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "0.29" ], [ "None", "None", 19454190, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2cccc(OCc3cncc(C#N)c3)c2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1C", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '10.87', 'le': '0.20', 'lle': '1.08', 'sei': '4.69'}", "CHEMBL4473243", "None", "CHEMBL4473243", "8.43", 0, "http://www.openphacts.org/units/Nanomolar", 3250564, "=", 1, 1, "=", "None", "Kd", "nM", "None", "3.7", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "3.7" ], [ "None", "None", 19454191, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1ccccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1C", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '15.85', 'le': '0.29', 'lle': '3.59', 'sei': '6.83'}", "CHEMBL4515820", "None", "CHEMBL4515820", "8.52", 0, "http://www.openphacts.org/units/Nanomolar", 3250563, "=", 1, 1, "=", "None", "Kd", "nM", "None", "3.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "3.0" ], [ "None", "None", 19454192, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1C", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '12.01', 'le': '0.22', 'lle': '4.83', 'sei': '4.30'}", "CHEMBL4473436", "None", "CHEMBL4473436", "10.72", 0, "http://www.openphacts.org/units/Nanomolar", 3250562, "=", 1, 1, "=", "None", "Kd", "nM", "None", "0.019", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "0.019" ], [ "None", "None", 19454193, "[]", "CHEMBL4434582", "Binding affinity to FC-tagged human PDL1 by SPR assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1ccccc1", "None", "None", "CHEMBL4433267", "Bioorg Med Chem Lett", 2019, "{'bei': '17.11', 'le': '0.31', 'lle': '4.34', 'sei': '7.18'}", "CHEMBL4472332", "None", "CHEMBL4472332", "8.96", 0, "http://www.openphacts.org/units/Nanomolar", 3250561, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1.1", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "1.1" ], [ "None", "None", 20641432, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(-c2ccccc2)cccc1-c1cn2nc(CNCCO)cnc2n1", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4639107", "None", "CHEMBL4639107", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473992, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641433, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(-c2ccccc2)cccc1-c1nc2c(s1)CNCC2", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4636289", "None", "CHEMBL4636289", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473993, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641434, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "N#Cc1c(-c2ccc3c(c2)OCCO3)cccc1N1CCC(N[C@H]2C[C@@H](O)C2)CC1", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4636342", "None", "CHEMBL4636342", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473994, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641435, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4637826", "None", "CHEMBL4637826", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473995, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641436, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5)cccc43)c(Cl)cc2CN[C@@H](CO)C(=O)O)c1", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4633569", "None", "CHEMBL4633569", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473996, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641437, "[]", "CHEMBL4613347", "Antagonist activity against PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "{'bei': '12.52', 'le': '0.24', 'lle': '5.09', 'sei': '2.69'}", "CHEMBL366760", "None", "CHEMBL366760", "4.44", 0, "http://www.openphacts.org/units/Nanomolar", 3474000, "=", 1, 1, "=", "None", "IC50", "nM", "None", "36560.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "36.56" ], [ "None", "None", 20641441, "[]", "CHEMBL4613351", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4081869", "None", "CHEMBL4081869", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473988, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "None", "None", 20641442, "[]", "CHEMBL4613351", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(=O)O)cc2F)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4613205", "Eur J Med Chem", 2019, "None", "CHEMBL4062686", "None", "CHEMBL4062686", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3473989, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22402588, "[]", "CHEMBL4670081", "Binding affinity to PDL1 (unknown origin) by SPR analysis", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "CC(NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O)=C1C(=O)CC(C)(C)CC1=O", "None", "None", "CHEMBL4665770", "J Med Chem", 2020, "{'bei': '3.69', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4793446", "None", "CHEMBL4793446", "5.25", 0, "http://www.openphacts.org/units/Nanomolar", 3509810, "=", 1, 1, "=", "None", "Kd", "nM", "None", "5670.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "5.67" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22408536, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '1.0', 'text_value': None, 'type': 'Time', 'units': 'hrs', 'value': '1.0'}]", "CHEMBL4670985", "Binding affinity to human PD1-L1 (18-134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by MST analysis", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "CC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1", "None", "None", "CHEMBL4665815", "J Med Chem", 2020, "{'bei': '18.52', 'le': '0.40', 'lle': '3.48', 'sei': '16.68'}", "CHEMBL4749472", "None", "CHEMBL4749472", "8.40", 0, "http://www.openphacts.org/units/Nanomolar", 3511055, "=", 1, 1, "=", "None", "Kd", "nM", "None", "4.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "4.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22408537, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '1.0', 'text_value': None, 'type': 'Time', 'units': 'hrs', 'value': '1.0'}]", "CHEMBL4670985", "Binding affinity to human PD1-L1 (18-134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by MST analysis", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "O=C(O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1", "None", "None", "CHEMBL4665815", "J Med Chem", 2020, "{'bei': '17.68', 'le': '0.37', 'lle': '2.36', 'sei': '17.07'}", "CHEMBL4765124", "None", "CHEMBL4765124", "8.49", 0, "http://www.openphacts.org/units/Nanomolar", 3511059, "=", 1, 1, "=", "None", "Kd", "nM", "None", "3.2", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "3.2" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22408538, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '1.0', 'text_value': None, 'type': 'Time', 'units': 'hrs', 'value': '1.0'}]", "CHEMBL4670985", "Binding affinity to human PD1-L1 (18-134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by MST analysis", "B", "None", "None", "BAO_0000034", "BAO_0000019", "assay format", "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@H](O)C[C@@H]3C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4665815", "J Med Chem", 2020, "{'bei': '11.73', 'le': '0.22', 'lle': '1.38', 'sei': '6.19'}", "CHEMBL4071326", "None", "CHEMBL4071326", "7.52", 0, "http://www.openphacts.org/units/Nanomolar", 3511083, "=", 1, 1, "=", "None", "Kd", "nM", "None", "30.3", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "30.3" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22435478, "[]", "CHEMBL4677428", "Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1cc(NCc2cccc(-c3ccccc3)c2C)c(Cl)cc1CN[C@H](CO)C(=O)O", "None", "None", "CHEMBL4673285", "J Med Chem", 2020, "None", "CHEMBL4790354", "None", "CHEMBL4790354", "None", 0, "None", 3515792, "=", 1, 0, "=", "None", "Kd", "10^-4/s", "None", "6.64", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "10^-4/s", "None", "None", "6.64" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22435479, "[]", "CHEMBL4677428", "Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(CNc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1ccccc1", "None", "None", "CHEMBL4673285", "J Med Chem", 2020, "None", "CHEMBL4783983", "None", "CHEMBL4783983", "None", 0, "None", 3515787, "=", 1, 0, "=", "None", "Kd", "10^-4/s", "None", "2.51", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "10^-4/s", "None", "None", "2.51" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22435480, "[]", "CHEMBL4677428", "Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cncc(C#N)c2)cc1NCc1cccc(-c2ccccc2)c1C", "None", "None", "CHEMBL4673285", "J Med Chem", 2020, "None", "CHEMBL4795176", "None", "CHEMBL4795176", "None", 0, "None", 3515786, "=", 1, 0, "=", "None", "Kd", "10^-5/s", "None", "3.53", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "10^-5/s", "None", "None", "3.53" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22435481, "[]", "CHEMBL4677428", "Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1cc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "None", "None", "CHEMBL4673285", "J Med Chem", 2020, "None", "CHEMBL4745408", "None", "CHEMBL4745408", "None", 0, "None", 3515780, "=", 1, 0, "=", "None", "Kd", "10^-3/s", "None", "1.02", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "10^-3/s", "None", "None", "1.02" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22435482, "[]", "CHEMBL4677428", "Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(CNc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1", "None", "None", "CHEMBL4673285", "J Med Chem", 2020, "None", "CHEMBL4792711", "None", "CHEMBL4792711", "None", 0, "None", 3515779, "=", 1, 0, "=", "None", "Kd", "10^-3/s", "None", "1.18", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "10^-3/s", "None", "None", "1.18" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486845, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '4.00', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4763905", "None", "CHEMBL4763905", "5.36", 0, "http://www.openphacts.org/units/Nanomolar", 3524954, "=", 1, 1, "=", "None", "IC50", "nM", "None", "4400.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "4.4" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486846, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '4.42', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4759600", "None", "CHEMBL4759600", "6.15", 0, "http://www.openphacts.org/units/Nanomolar", 3524953, "=", 1, 1, "=", "None", "IC50", "nM", "None", "710.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "0.71" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486847, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '4.29', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4777505", "None", "CHEMBL4777505", "5.81", 0, "http://www.openphacts.org/units/Nanomolar", 3524952, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1560.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "1.56" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486848, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '3.88', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4791550", "None", "CHEMBL4791550", "5.25", 0, "http://www.openphacts.org/units/Nanomolar", 3524951, "=", 1, 1, "=", "None", "IC50", "nM", "None", "5600.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "5.6" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486849, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '2.65', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4790749", "None", "CHEMBL4790749", "4.09", 0, "http://www.openphacts.org/units/Nanomolar", 3524950, "=", 1, 1, "=", "None", "IC50", "nM", "None", "80700.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "80.7" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486850, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '2.59', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4791798", "None", "CHEMBL4791798", "4.03", 0, "http://www.openphacts.org/units/Nanomolar", 3524949, "=", 1, 1, "=", "None", "IC50", "nM", "None", "93500.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "93.5" ], [ "{'action_type': 'ANTAGONIST', 'description': 'Binds to a receptor and prevents activation by an agonist through competing for the binding site', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22486851, "[]", "CHEMBL4688873", "Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC", "None", "None", "CHEMBL4680328", "Bioorg Med Chem", 2021, "{'bei': '3.11', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4798338", "None", "CHEMBL4798338", "4.72", 0, "http://www.openphacts.org/units/Nanomolar", 3524948, "=", 1, 1, "=", "None", "IC50", "nM", "None", "19200.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "uM", "UO_0000065", "None", "19.2" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22777431, "[]", "CHEMBL4706069", "Binding affinity to human PD-L1 by isothermal titration calorimetric analysis", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCCC3C(=O)NCCN)cc2Cl)cccc1-c1ccccc1.Cl.Cl", "None", "None", "CHEMBL4699660", "J Med Chem", 2020, "{'bei': '11.32', 'le': '0.21', 'lle': '0.28', 'sei': '7.01'}", "CHEMBL4748886", "None", "CHEMBL4802680", "7.05", 0, "http://www.openphacts.org/units/Nanomolar", 3536711, "=", 1, 1, "=", "None", "Kd", "nM", "None", "88.3", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "88.3" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22777433, "[]", "CHEMBL4706071", "Binding affinity to human PD-L1 by surface plasmon resonance", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCCC3C(=O)NCCN)cc2Cl)cccc1-c1ccccc1.Cl.Cl", "None", "None", "CHEMBL4699660", "J Med Chem", 2020, "{'bei': '10.74', 'le': '0.20', 'lle': '-0.08', 'sei': '6.65'}", "CHEMBL4748886", "None", "CHEMBL4802680", "6.70", 0, "http://www.openphacts.org/units/Nanomolar", 3536711, "=", 1, 1, "=", "None", "Kd", "nM", "None", "202.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "202.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22915390, "[]", "CHEMBL4735265", "Binding affinity to recombinant human PDL1 (Met1 to Arg238 residues) expressed in HEK293 cells by isothermal titration calorimetry", "B", "None", "None", "BAO_0000034", "BAO_0000219", "cell-based format", "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C=O)cc1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL4732116", "Eur J Med Chem", 2021, "None", "CHEMBL4759576", "None", "CHEMBL4759576", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3557802, "=", 1, 1, "=", "None", "Kd", "nM", "None", "117000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "117.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22915392, "[]", "CHEMBL4735267", "Binding affinity to recombinant human PDL1 (Met1 to Arg238 residues) expressed in HEK293 cells by SPR analysis", "B", "None", "None", "BAO_0000034", "BAO_0000219", "cell-based format", "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C=O)cc1", "None", "None", "CHEMBL4732116", "Eur J Med Chem", 2021, "{'bei': '9.91', 'le': '0.18', 'lle': '-0.97', 'sei': '6.81'}", "CHEMBL4759576", "None", "CHEMBL4759576", "4.30", 0, "http://www.openphacts.org/units/Nanomolar", 3557802, "=", 1, 1, "=", "None", "Kd", "nM", "None", "49500.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "49.5" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22991297, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '0.25', 'text_value': None, 'type': 'Time', 'units': 'min', 'value': '15.0'}]", "CHEMBL4775268", "Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC(C)(C)C(=O)O)cc2Cl)cccc1-c1ccc2ocnc2c1", "None", "None", "CHEMBL4765466", "J Med Chem", 2020, "{'bei': '15.07', 'le': '0.29', 'lle': '2.17', 'sei': '6.90'}", "CHEMBL4776444", "None", "CHEMBL4776444", "9.00", 0, "http://www.openphacts.org/units/Nanomolar", 3570672, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22991298, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '0.25', 'text_value': None, 'type': 'Time', 'units': 'min', 'value': '15.0'}]", "CHEMBL4775268", "Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN[C@](C)(CO)C(=O)O)cc2Cl)cccc1-c1cnc2ccccc2n1", "None", "None", "CHEMBL4765466", "J Med Chem", 2020, "{'bei': '14.42', 'le': '0.27', 'lle': '3.39', 'sei': '5.98'}", "CHEMBL4785255", "None", "CHEMBL4785255", "9.00", 0, "http://www.openphacts.org/units/Nanomolar", 3570673, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22991299, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '0.25', 'text_value': None, 'type': 'Time', 'units': 'min', 'value': '15.0'}]", "CHEMBL4775268", "Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cn1cnc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1", "None", "None", "CHEMBL4765466", "J Med Chem", 2020, "{'bei': '23.90', 'le': '0.47', 'lle': '7.00', 'sei': '15.40'}", "CHEMBL4776700", "None", "CHEMBL4776700", "9.00", 0, "http://www.openphacts.org/units/Nanomolar", 3570674, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22991300, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '0.25', 'text_value': None, 'type': 'Time', 'units': 'min', 'value': '15.0'}]", "CHEMBL4775269", "Binding affinity to PDL1 (unknown origin) assessed as reduction in PDL1/PD1 protein-protein interaction preincubated for 15 mins followed by PD1 addition and measured after 15 mins by HTRF binding assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O", "None", "None", "CHEMBL4765466", "J Med Chem", 2020, "{'bei': '20.06', 'le': '0.37', 'lle': '4.52', 'sei': '13.08'}", "CHEMBL4081869", "None", "CHEMBL4081869", "9.00", 0, "http://www.openphacts.org/units/Nanomolar", 3570670, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 22991301, "[{'comments': None, 'relation': '=', 'result_flag': 0, 'standard_relation': '=', 'standard_text_value': None, 'standard_type': 'TIME', 'standard_units': 'hr', 'standard_value': '0.25', 'text_value': None, 'type': 'Time', 'units': 'min', 'value': '15.0'}]", "CHEMBL4775269", "Binding affinity to PDL1 (unknown origin) assessed as reduction in PDL1/PD1 protein-protein interaction preincubated for 15 mins followed by PD1 addition and measured after 15 mins by HTRF binding assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "None", "None", "CHEMBL4765466", "J Med Chem", 2020, "{'bei': '18.46', 'le': '0.34', 'lle': '3.87', 'sei': '10.69'}", "CHEMBL4089730", "None", "CHEMBL4089730", "7.75", 1, "http://www.openphacts.org/units/Nanomolar", 3570671, "=", 1, 1, "=", "None", "IC50", "nM", "None", "18.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "18.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 23187803, "[]", "CHEMBL4817958", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1c(/C=C/c2cc(CNC(C)(CO)C(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4814029", "Eur J Med Chem", 2021, "{'bei': '14.68', 'le': '0.28', 'lle': '2.19', 'sei': '8.80'}", "CHEMBL4537970", "None", "CHEMBL4537970", "7.75", 0, "http://www.openphacts.org/units/Nanomolar", 3605619, "=", 1, 1, "=", "None", "IC50", "nM", "None", "18.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "18.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 23187804, "[]", "CHEMBL4817958", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)c2C)ncc1CN1CCCC[C@H]1C(=O)O", "None", "None", "CHEMBL4814029", "Eur J Med Chem", 2021, "None", "CHEMBL4877001", "None", "CHEMBL4877001", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3605621, "<", 1, 1, "<", "None", "IC50", "nM", "None", "10.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "10.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 23187805, "[]", "CHEMBL4817958", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "N#Cc1c(NC(=O)c2nc3c(s2)CNCC3)cccc1-c1ccc2c(c1)OCCO2", "None", "None", "CHEMBL4814029", "Eur J Med Chem", 2021, "None", "CHEMBL4861563", "None", "CHEMBL4861563", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3605622, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 23187806, "[]", "CHEMBL4817958", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCC1CC1)C(=O)O", "None", "None", "CHEMBL4814029", "Eur J Med Chem", 2021, "{'bei': '13.90', 'le': '0.30', 'lle': '1.93', 'sei': '9.08'}", "CHEMBL4871633", "None", "CHEMBL4871633", "7.99", 0, "http://www.openphacts.org/units/Nanomolar", 3605623, "=", 1, 1, "=", "None", "IC50", "nM", "None", "10.2", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "10.2" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 23187807, "[]", "CHEMBL4817958", "Inhibition of PDL1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "N#Cc1cncc(COc2cc(OC3CCc4c(-c5ccccc5)cccc43)c(Cl)cc2CN[C@@H](CO)C(=O)O)c1", "None", "None", "CHEMBL4814029", "Eur J Med Chem", 2021, "None", "CHEMBL4848279", "None", "CHEMBL4848279", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3605624, "<", 1, 1, "<", "None", "IC50", "nM", "None", "100.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "100.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24354646, "[]", "CHEMBL5032960", "Binding affinity to human PD-L1 assessed as dissociation constant by surface plasmon resonance analysis", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1ccc2nonc2c1", "None", "None", "CHEMBL5032502", "J Med Chem", 2021, "{'bei': '13.27', 'le': '0.28', 'lle': '2.48', 'sei': '6.68'}", "CHEMBL5092744", "None", "CHEMBL5092744", "8.48", 0, "http://www.openphacts.org/units/Nanomolar", 3773333, "=", 1, 1, "=", "None", "Kd", "nM", "None", "3.34", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "3.34" ], [ "{'action_type': 'DEGRADER', 'description': 'Binds to or antagonizes a receptor, leading to its degradation', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24421616, "[]", "CHEMBL5048961", "Binding affinity to human PD-L1 assessed as dissociation constant by micro-scale thermophoresis analysis", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1c(-c2ccccc2)cccc1-c1nnc(Nc2cccc(CNCCO)c2)o1", "None", "None", "CHEMBL5046280", "J Med Chem", 2022, "{'bei': '18.98', 'le': '0.35', 'lle': '3.06', 'sei': '9.14'}", "CHEMBL5072692", "None", "CHEMBL5072692", "7.60", 0, "http://www.openphacts.org/units/Nanomolar", 3784636, "=", 1, 1, "=", "None", "Kd", "nM", "None", "25.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "25.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24661942, "[]", "CHEMBL5096762", "Inhibition of PD-L1 (unknown origin) by HTRF assay", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)CC(=O)N2CCCC[C@H]2C(=O)N[C@@H](C(N)=O)C(=O)N2CC[C@@H](C2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(N)=O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C", "None", "None", "CHEMBL5096155", "Eur J Med Chem", 2021, "{'bei': '4.82', 'le': None, 'lle': None, 'sei': None}", "CHEMBL5171101", "None", "CHEMBL5171101", "8.99", 0, "http://www.openphacts.org/units/Nanomolar", 3842496, "=", 1, 1, "=", "None", "IC50", "nM", "None", "1.03", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "1.03" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24661943, "[]", "CHEMBL5096763", "Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "None", "None", "CHEMBL5096155", "Eur J Med Chem", 2021, "{'bei': '4.04', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4514311", "None", "CHEMBL4514311", "6.29", 1, "http://www.openphacts.org/units/Nanomolar", 3842497, "=", 1, 1, "=", "None", "Kd", "nM", "None", "510.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "0.51" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24661944, "[]", "CHEMBL5096763", "Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O", "Potential transcription error", "Values appear to be an order of magnitude different from previously reported, so units may be incorrect", "CHEMBL5096155", "Eur J Med Chem", 2021, "None", "CHEMBL4530490", "None", "CHEMBL4530490", "None", 1, "http://www.openphacts.org/units/Nanomolar", 3842498, "=", 1, 1, "=", "None", "Kd", "nM", "None", "94.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "94.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24661945, "[]", "CHEMBL5096763", "Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "None", "None", "CHEMBL5096155", "Eur J Med Chem", 2021, "{'bei': '3.16', 'le': None, 'lle': None, 'sei': None}", "CHEMBL4583803", "None", "CHEMBL4583803", "5.86", 0, "http://www.openphacts.org/units/Nanomolar", 3842499, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1380.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "uM", "UO_0000065", "None", "1.38" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24661949, "[]", "CHEMBL5096766", "Inhibition of PD-L1 (unknown origin)", "B", "None", "None", "BAO_0000190", "BAO_0000357", "single protein format", "CC(O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nnc([C@@H](N)CO)s1)C(=O)O", "None", "None", "CHEMBL5096155", "Eur J Med Chem", 2021, "{'bei': '19.74', 'le': '0.41', 'lle': '9.85', 'sei': '3.48'}", "CHEMBL5197008", "None", "CHEMBL5197008", "7.43", 0, "http://www.openphacts.org/units/Nanomolar", 3842504, "=", 1, 1, "=", "None", "IC50", "nM", "None", "37.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "IC50", "nM", "UO_0000065", "None", "37.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917327, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccccc2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '27.04', 'le': '0.49', 'lle': '4.19', 'sei': '14.08'}", "CHEMBL5186432", "None", "CHEMBL5186432", "6.42", 0, "http://www.openphacts.org/units/Nanomolar", 3894528, "=", 1, 1, "=", "None", "Kd", "nM", "None", "385.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "385.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917328, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1ccccc1C1=NN(c2ccccn2)C(=O)C1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '28.58', 'le': '0.52', 'lle': '5.41', 'sei': '13.94'}", "CHEMBL5176505", "None", "CHEMBL5176505", "7.64", 0, "http://www.openphacts.org/units/Nanomolar", 3894529, "=", 1, 1, "=", "None", "Kd", "nM", "None", "23.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "23.0" ], [ "None", "None", 24917329, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccccc2Cl)=NN1c1ccccn1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5177461", "None", "CHEMBL5177461", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3894527, ">", 1, 1, ">", "None", "Kd", "nM", "None", "500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "500000.0" ], [ "None", "None", 24917330, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1ccccc1C1=NN(c2ccccn2)C(=O)C1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5176662", "None", "CHEMBL5176662", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3894526, ">", 1, 1, ">", "None", "Kd", "nM", "None", "500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "500000.0" ], [ "None", "None", 24917331, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccccc2F)=NN1c1ccccn1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5190321", "None", "CHEMBL5190321", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3894525, ">", 1, 1, ">", "None", "Kd", "nM", "None", "500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "500000.0" ], [ "None", "NA", 24917332, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1cccc(C2=NN(c3ccccn3)C(=O)C2)c1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5192546", "None", "CHEMBL5192546", "None", 0, "None", 3894524, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "None", 24917333, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2cccc(Cl)c2)=NN1c1ccccn1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5195841", "None", "CHEMBL5195841", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3894523, ">", 1, 1, ">", "None", "Kd", "nM", "None", "500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "500000.0" ], [ "None", "None", 24917334, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1cccc(C2=NN(c3ccccn3)C(=O)C2)c1", "Outside typical range", "Values for this activity type are unusually large/small, so may not be accurate", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5196389", "None", "CHEMBL5196389", "None", 0, "http://www.openphacts.org/units/Nanomolar", 3894522, ">", 1, 1, ">", "None", "Kd", "nM", "None", "500000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "500000.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917335, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2cccc(C(F)(F)F)c2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '19.40', 'le': '0.37', 'lle': '2.68', 'sei': '13.00'}", "CHEMBL5207258", "None", "CHEMBL5207258", "5.92", 0, "http://www.openphacts.org/units/Nanomolar", 3894521, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1200.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "1200.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917336, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '26.49', 'le': '0.48', 'lle': '4.85', 'sei': '12.92'}", "CHEMBL5171729", "None", "CHEMBL5171729", "7.08", 0, "http://www.openphacts.org/units/Nanomolar", 3894520, "=", 1, 1, "=", "None", "Kd", "nM", "None", "83.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "83.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917337, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccc(C(F)(F)F)cc2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '22.30', 'le': '0.42', 'lle': '3.57', 'sei': '14.94'}", "CHEMBL5177267", "None", "CHEMBL5177267", "6.81", 0, "http://www.openphacts.org/units/Nanomolar", 3894519, "=", 1, 1, "=", "None", "Kd", "nM", "None", "156.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "156.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917338, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccc(Cl)cc2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '16.81', 'le': '0.33', 'lle': '1.69', 'sei': '10.03'}", "CHEMBL5177805", "None", "CHEMBL5177805", "4.57", 0, "http://www.openphacts.org/units/Nanomolar", 3894518, "=", 1, 1, "=", "None", "Kd", "nM", "None", "27000.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "27000.0" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917339, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "Cc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '23.73', 'le': '0.43', 'lle': '3.43', 'sei': '13.09'}", "CHEMBL5185402", "None", "CHEMBL5185402", "5.96", 0, "http://www.openphacts.org/units/Nanomolar", 3894517, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1090.0", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "1090.0" ], [ "None", "NA", 24917340, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5176712", "None", "CHEMBL5176712", "None", 0, "None", 3894516, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "None", "NA", 24917341, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "O=C1CC(c2ccc(F)cc2)=NN1c1ccccn1", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "None", "CHEMBL5178357", "None", "CHEMBL5178357", "None", 0, "None", 3894515, "None", 1, 0, "None", "None", "Kd", "None", "None", "None", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "None", "None", "None", "None" ], [ "{'action_type': 'INHIBITOR', 'description': 'Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway', 'parent_type': 'NEGATIVE MODULATOR'}", "None", 24917342, "[]", "CHEMBL5165090", "Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay", "B", "None", "None", "BAO_0000034", "BAO_0000357", "single protein format", "COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1OC", "None", "None", "CHEMBL5154872", "Eur J Med Chem", 2022, "{'bei': '30.02', 'le': '0.55', 'lle': '6.68', 'sei': '13.94'}", "CHEMBL5207924", "None", "CHEMBL5207924", "8.92", 0, "http://www.openphacts.org/units/Nanomolar", 3894514, "=", 1, 1, "=", "None", "Kd", "nM", "None", "1.19", "CHEMBL3580522", "Homo sapiens", "Programmed cell death 1 ligand 1", "9606", "None", "None", "Kd", "nM", "UO_0000065", "None", "1.19" ] ] } }, "other": {}, "relations": [] }, "error": null, "input_metadata": [ { "dataframes": { "df": { "columns": [ "action_type", "activity_comment", "activity_id", "activity_properties", "assay_chembl_id", "assay_description", "assay_type", "assay_variant_accession", "assay_variant_mutation", "bao_endpoint", "bao_format", "bao_label", "canonical_smiles", "data_validity_comment", "data_validity_description", "document_chembl_id", "document_journal", "document_year", "ligand_efficiency", "molecule_chembl_id", "molecule_pref_name", "parent_molecule_chembl_id", "pchembl_value", "potential_duplicate", "qudt_units", "record_id", "relation", "src_id", "standard_flag", "standard_relation", "standard_text_value", "standard_type", "standard_units", "standard_upper_value", "standard_value", "target_chembl_id", "target_organism", "target_pref_name", "target_tax_id", "text_value", "toid", "type", "units", "uo_units", "upper_value", "value" ] } }, "other": {}, "relations": [] } ], "meta": { "color": "orange", "doc": null, "inputs": [ { "name": "bundle", "position": "left", "type": { "type": "" } } ], "name": "View tables", "outputs": [], "params": [ { "default": 100, "name": "limit", "type": { "type": "" } } ], "type": "table_view" }, "params": { "limit": 100.0 }, "status": "done", "title": "View tables" }, "dragHandle": ".bg-primary", "height": 200.0, "id": "View tables 2", "position": { "x": 410.5, "y": 442.5 }, "type": "table_view", "width": 200.0 } ] }