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 {
"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": "<class 'str'>"
}
},
{
"default": 70,
"name": "cutoff",
"type": {
"type": "<class 'int'>"
}
}
],
"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,
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"width": 391.0
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{
"data": {
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"input_metadata": [
{}
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"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": "<class 'pandas.core.frame.DataFrame'>"
}
}
],
"name": "chembl structure",
"outputs": [
{
"name": "output",
"position": "right",
"type": {
"type": "None"
}
}
],
"params": [
{
"default": "molecule_chembl_id",
"name": "id_col",
"type": {
"type": "<class 'str'>"
}
},
{
"default": 5,
"name": "timeout",
"type": {
"type": "<class 'int'>"
}
}
],
"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
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{
"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",
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2015,
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2015,
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2015,
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2015,
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"http://www.openphacts.org/units/Nanomolar",
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15614403,
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2015,
"{'bei': '14.72', 'le': '0.27', 'lle': '2.09', 'sei': '11.26'}",
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"http://www.openphacts.org/units/Nanomolar",
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15614404,
"[]",
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2015,
"{'bei': '17.29', 'le': '0.32', 'lle': '2.52', 'sei': '12.05'}",
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"http://www.openphacts.org/units/Nanomolar",
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18080412,
"[]",
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2017,
"{'bei': '18.33', 'le': '0.34', 'lle': '3.74', 'sei': '11.95'}",
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"http://www.openphacts.org/units/Nanomolar",
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[
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18080413,
"[]",
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"CHEMBL4014356",
"J Med Chem",
2017,
"{'bei': '13.83', 'le': '0.29', 'lle': '0.40', 'sei': '13.73'}",
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0,
"http://www.openphacts.org/units/Nanomolar",
2997002,
"=",
1,
1,
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"None",
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[
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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",
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"None",
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"J Med Chem",
2017,
"{'bei': '18.46', 'le': '0.34', 'lle': '3.87', 'sei': '10.69'}",
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0,
"http://www.openphacts.org/units/Nanomolar",
2997003,
"=",
1,
1,
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"None",
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[
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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",
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"None",
"CHEMBL4014356",
"J Med Chem",
2017,
"{'bei': '18.29', 'le': '0.34', 'lle': '2.86', 'sei': '13.71'}",
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"None",
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0,
"http://www.openphacts.org/units/Nanomolar",
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1,
1,
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"UO_0000065",
"100.0",
"6.0"
],
[
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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",
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"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,
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"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",
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"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,
"=",
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"IC50",
"nM",
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"2.25",
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"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",
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"None",
"None",
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"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,
"=",
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"1.4",
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"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",
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"None",
"None",
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"None",
"None",
"CHEMBL4014356",
"J Med Chem",
2017,
"None",
"CHEMBL4081869",
"None",
"CHEMBL4081869",
"None",
0,
"http://www.openphacts.org/units/Nanomolar",
2997001,
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1,
1,
"<",
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"None",
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[
"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",
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"None",
"None",
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"None",
"None",
"CHEMBL4014356",
"J Med Chem",
2017,
"None",
"CHEMBL4062686",
"None",
"CHEMBL4062686",
"None",
0,
"http://www.openphacts.org/units/Nanomolar",
2997005,
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1,
1,
"<",
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"None",
"1.0"
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[
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"None",
18748906,
"[]",
"CHEMBL4263391",
"Inhibition of PD-L1 (unknown origin)",
"B",
"None",
"None",
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"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,
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"None",
"18.0"
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[
"None",
"None",
18748907,
"[]",
"CHEMBL4263391",
"Inhibition of PD-L1 (unknown origin)",
"B",
"None",
"None",
"BAO_0000190",
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"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",
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"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",
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"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",
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"None",
"80.0",
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"9606",
"None",
"None",
"IC50",
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"UO_0000065",
"None",
"80.0"
],
[
"None",
"None",
18748909,
"[]",
"CHEMBL4263391",
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"B",
"None",
"None",
"BAO_0000190",
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"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,
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"=",
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"5.2",
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"Homo sapiens",
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"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,
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"None",
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"None",
"510.0",
"CHEMBL3580522",
"Homo sapiens",
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"9606",
"None",
"None",
"Kd",
"uM",
"UO_0000065",
"None",
"0.51"
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[
"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,
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"None",
"1130.0",
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"UO_0000065",
"None",
"1.13"
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[
"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,
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"None",
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"22000.0",
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"Kd",
"uM",
"UO_0000065",
"None",
"22.0"
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[
"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,
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0,
"http://www.openphacts.org/units/Nanomolar",
3250562,
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1,
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"0.019"
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[
"None",
"None",
19454193,
"[]",
"CHEMBL4434582",
"Binding affinity to FC-tagged human PDL1 by SPR assay",
"B",
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"Bioorg Med Chem Lett",
2019,
"{'bei': '17.11', 'le': '0.31', 'lle': '4.34', 'sei': '7.18'}",
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"None",
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"http://www.openphacts.org/units/Nanomolar",
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[
"None",
"None",
20641432,
"[]",
"CHEMBL4613347",
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"Eur J Med Chem",
2019,
"None",
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0,
"http://www.openphacts.org/units/Nanomolar",
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"[]",
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2019,
"None",
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"http://www.openphacts.org/units/Nanomolar",
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"[]",
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2019,
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0,
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[
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20641435,
"[]",
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"Antagonist activity against PDL1 (unknown origin)",
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"None",
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2019,
"None",
"CHEMBL4637826",
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0,
"http://www.openphacts.org/units/Nanomolar",
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"[]",
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"Antagonist activity against PDL1 (unknown origin)",
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"None",
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2019,
"None",
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0,
"http://www.openphacts.org/units/Nanomolar",
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[
"None",
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20641437,
"[]",
"CHEMBL4613347",
"Antagonist activity against PDL1 (unknown origin)",
"B",
"None",
"None",
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"None",
"None",
"CHEMBL4613205",
"Eur J Med Chem",
2019,
"{'bei': '12.52', 'le': '0.24', 'lle': '5.09', 'sei': '2.69'}",
"CHEMBL366760",
"None",
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0,
"http://www.openphacts.org/units/Nanomolar",
3474000,
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1,
1,
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"UO_0000065",
"None",
"36.56"
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[
"None",
"None",
20641441,
"[]",
"CHEMBL4613351",
"Inhibition of PDL1 (unknown origin)",
"B",
"None",
"None",
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"None",
"None",
"CHEMBL4613205",
"Eur J Med Chem",
2019,
"None",
"CHEMBL4081869",
"None",
"CHEMBL4081869",
"None",
0,
"http://www.openphacts.org/units/Nanomolar",
3473988,
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1,
1,
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[
"None",
"None",
20641442,
"[]",
"CHEMBL4613351",
"Inhibition of PDL1 (unknown origin)",
"B",
"None",
"None",
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"None",
"CHEMBL4613205",
"Eur J Med Chem",
2019,
"None",
"CHEMBL4062686",
"None",
"CHEMBL4062686",
"None",
0,
"http://www.openphacts.org/units/Nanomolar",
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1,
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[
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22402588,
"[]",
"CHEMBL4670081",
"Binding affinity to PDL1 (unknown origin) by SPR analysis",
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"None",
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2020,
"{'bei': '3.69', 'le': None, 'lle': None, 'sei': None}",
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[
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2020,
"{'bei': '18.52', 'le': '0.40', 'lle': '3.48', 'sei': '16.68'}",
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[
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2020,
"{'bei': '17.68', 'le': '0.37', 'lle': '2.36', 'sei': '17.07'}",
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"http://www.openphacts.org/units/Nanomolar",
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[
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2020,
"{'bei': '11.73', 'le': '0.22', 'lle': '1.38', 'sei': '6.19'}",
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0,
"http://www.openphacts.org/units/Nanomolar",
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"=",
1,
1,
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22435478,
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"None",
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2020,
"None",
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22435479,
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"None",
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2020,
"None",
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0,
"None",
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22435480,
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"None",
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"J Med Chem",
2020,
"None",
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2020,
"None",
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22435482,
"[]",
"CHEMBL4677428",
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"None",
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"J Med Chem",
2020,
"None",
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0,
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"=",
1,
0,
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[
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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",
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2022,
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2022,
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2022,
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2022,
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0,
"http://www.openphacts.org/units/Nanomolar",
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2022,
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3894518,
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2022,
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2022,
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2022,
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"None",
3894515,
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2022,
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