Compile Data Set for Download or QSAR

Found 1980 hits with Last Name = 'mukherjee' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50218197 ((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...) Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13| Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal and Aromatic Plants Curated by ChEMBL					Assay Description Uncompetitive inhibition of human thrombin using T1637 as substrate by Michaelis-Menten plot analysis				J Nat Prod 81: 2521-2530 (2018) Article DOI: 10.1021/acs.jnatprod.8b00574 BindingDB Entry DOI: 10.7270/Q2BZ68RT
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM18129 ((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.50E+4	-27.3	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM36555 (3-Aminotyrosine) Show SMILES NC(Cc1ccc(O)c(N)c1)C(O)=O Show InChI InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+5	-22.0	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM36556 (3-Azidotyrosine) Show SMILES NC(Cc1ccc(O)c(c1)N=[N]#N)C(O)=O Show InChI InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+5	-22.0	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM36557 (3-Formyltyrosine) Show SMILES NC(Cc1ccc(O)c(C=O)c1)C(O)=O Show InChI InChI=1S/C10H11NO4/c11-8(10(14)15)4-6-1-2-9(13)7(3-6)5-12/h1-3,5,8,13H,4,11H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+5	-20.9	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM36554 (3-Nitrotyrosine) Show SMILES NC(Cc1ccc(O)c(c1)N(=O)=O)C(O)=O Show InChI InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+5	-20.2	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM36558 (4-Aminophenylalanine) Show SMILES NC(Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+6	>-14.2	n/a	n/a	n/a	n/a	n/a	6.8	37
Binghamton University					Assay Description Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).				ACS Chem Biol 5: 777-85 (2010) Article DOI: 10.1021/cb100060v BindingDB Entry DOI: 10.7270/Q25H7DM1
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452113 (US10710986, Example 252 | US11555029, No. 252) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452147 (US10710986, Example 286 | US11555029, No. 286) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452150 (US10710986, Example 289 | US11555029, No. 289) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452007 (US10710986, Example 147 | US11555029, No. 147) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 Show InChI InChI=1S/C32H34Cl2N6O4/c1-31(41)15-39(16-31)13-25-29(43-3)37-23(11-35-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-36-26(30(38-24)44-4)14-40-17-32(2,42)18-40/h5-12,41-42H,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452008 (US10710986, Example 148 | US11555029, No. 148) Show SMILES COc1nc(cnc1CN1CC(C)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(CO)C2)c(OC)n1 Show InChI InChI=1S/C34H38Cl2N6O4/c1-33(19-43)15-41(16-33)13-27-31(45-3)39-25(11-37-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-38-28(32(40-26)46-4)14-42-17-34(2,18-42)20-44/h5-12,43-44H,13-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451887 (US10710986, Example 26 | US11555029, No. 26) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N9O4/c1-49-34-29(16-38-13-21-14-42-46(20-21)11-12-47)40-18-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-41-30(35(45-28)50-2)17-39-15-22-9-10-31(48)43-22/h3-8,14,18-20,22,38-39,47H,9-13,15-17H2,1-2H3,(H,43,48)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452113 (US10710986, Example 252 | US11555029, No. 252) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452147 (US10710986, Example 286 | US11555029, No. 286) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452150 (US10710986, Example 289 | US11555029, No. 289) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452007 (US10710986, Example 147 | US11555029, No. 147) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 Show InChI InChI=1S/C32H34Cl2N6O4/c1-31(41)15-39(16-31)13-25-29(43-3)37-23(11-35-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-36-26(30(38-24)44-4)14-40-17-32(2,42)18-40/h5-12,41-42H,13-18H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452008 (US10710986, Example 148 | US11555029, No. 148) Show SMILES COc1nc(cnc1CN1CC(C)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(CO)C2)c(OC)n1 Show InChI InChI=1S/C34H38Cl2N6O4/c1-33(19-43)15-41(16-33)13-27-31(45-3)39-25(11-37-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-38-28(32(40-26)46-4)14-42-17-34(2,18-42)20-44/h5-12,43-44H,13-20H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451887 (US10710986, Example 26 | US11555029, No. 26) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N9O4/c1-49-34-29(16-38-13-21-14-42-46(20-21)11-12-47)40-18-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-41-30(35(45-28)50-2)17-39-15-22-9-10-31(48)43-22/h3-8,14,18-20,22,38-39,47H,9-13,15-17H2,1-2H3,(H,43,48)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452340 (US10710986, Example 478 | US11555029, No. 478) Show SMILES COc1nc(cnc1CN1CC(C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC)n1 Show InChI InChI=1S/C36H42Cl2N6O4/c1-35(2,45)21-15-43(16-21)19-29-33(47-5)41-27(13-39-29)25-11-7-9-23(31(25)37)24-10-8-12-26(32(24)38)28-14-40-30(34(42-28)48-6)20-44-17-22(18-44)36(3,4)46/h7-14,21-22,45-46H,15-20H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452342 (US10710986, Example 480 | US11555029, No. 480) Show SMILES COc1nc(cnc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CNC(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-11-19-9-29(45)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-12-20-10-30(46)42-14-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452350 (US10710986, Example 488 | US11555029, No. 488) Show SMILES CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C36H39Cl2N9O3/c1-21(48)47-19-36(20-47)17-46(18-36)16-30-34(39-2)44-27(14-42-30)25-8-4-6-23(32(25)37)24-7-5-9-26(33(24)38)28-15-41-29(35(45-28)50-3)13-40-12-22-10-11-31(49)43-22/h4-9,14-15,22,40H,10-13,16-20H2,1-3H3,(H,39,44)(H,43,49)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452353 (US10710986, Example 491 | US11555029, No. 491) Show SMILES COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 Show InChI InChI=1S/C41H42Cl2N8O3/c1-25(52)50-21-40(22-50)17-48(18-40)15-27-14-47(3)38-28(27)11-12-33(45-38)31-9-5-7-29(36(31)42)30-8-6-10-32(37(30)43)34-13-44-35(39(46-34)54-4)16-49-19-41(20-49)23-51(24-41)26(2)53/h5-14H,15-24H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452136 (US10710986, Example 275 | US11555029, No. 275) Show SMILES COc1nc(cnc1CNC[C@H]1C[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:37.40,11.11,wD:13.14,(8.86,-1.93,;8.86,-.39,;7.52,.38,;6.19,-.39,;4.86,.38,;4.86,1.92,;6.19,2.69,;7.52,1.92,;8.86,2.69,;10.19,1.92,;11.53,2.7,;12.86,1.93,;14.19,2.7,;14.96,1.36,;16.45,.96,;13.63,.59,;3.52,-.39,;3.52,-1.93,;2.19,-2.7,;.86,-1.93,;.86,-.39,;2.19,.38,;2.19,1.92,;-.48,.38,;-.48,1.92,;-1.81,2.69,;-3.15,1.92,;-3.15,.38,;-1.81,-.39,;-1.81,-1.93,;-4.48,-.39,;-4.48,-1.93,;-5.81,-2.7,;-7.15,-1.93,;-8.48,-2.7,;-9.81,-1.93,;-11.15,-2.7,;-12.48,-1.93,;-12.64,-.39,;-14.15,-.07,;-14.92,-1.41,;-16.45,-1.57,;-13.89,-2.55,;-7.15,-.39,;-8.48,.38,;-8.48,1.92,;-5.81,.38,)| Show InChI InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-13-19-11-21(44)12-19)39-17-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-18-40-29(34(43-27)47-2)16-38-14-20-9-10-30(45)41-20/h3-8,17-21,37-38,44H,9-16H2,1-2H3,(H,41,45)/t19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452215 (US10710986, Example 353 | US11555029, No. 353) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@H](O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452230 (US10710986, Example 368 | US11555029, No. 368) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 |r| Show InChI InChI=1S/C35H36Cl2N8O4/c1-48-33-27(13-38-12-20-9-10-29(46)42-20)39-14-25(43-33)23-7-3-5-21(31(23)36)22-6-4-8-24(32(22)37)26-15-40-28(34(44-26)49-2)16-45-18-35(19-45)11-30(47)41-17-35/h3-8,14-15,20,38H,9-13,16-19H2,1-2H3,(H,41,47)(H,42,46)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451993 (US10710986, Example 133 | US11555029, No. 133) Show SMILES COc1nc(cnc1C1=NC[C@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](CO)N2)c(OC)n1 |r,t:9,37| Show InChI InChI=1S/C30H28Cl2N8O4/c1-43-29-25(27-35-9-15(13-41)37-27)33-11-21(39-29)19-7-3-5-17(23(19)31)18-6-4-8-20(24(18)32)22-12-34-26(30(40-22)44-2)28-36-10-16(14-42)38-28/h3-8,11-12,15-16,41-42H,9-10,13-14H2,1-2H3,(H,35,37)(H,36,38)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451994 (US10710986, Example 134 | US11555029, No. 134) Show SMILES COc1nc(cnc1C1=NC[C@@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](CO)N2)c(OC)n1 |r,t:9,37| Show InChI InChI=1S/C30H28Cl2N8O4/c1-43-29-25(27-35-9-15(13-41)37-27)33-11-21(39-29)19-7-3-5-17(23(19)31)18-6-4-8-20(24(18)32)22-12-34-26(30(40-22)44-2)28-36-10-16(14-42)38-28/h3-8,11-12,15-16,41-42H,9-10,13-14H2,1-2H3,(H,35,37)(H,36,38)/t15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452017 (US10710986, Example 157 | US11555029, No. 157) Show SMILES COc1nc(ccc1CN1CC(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N6O4/c1-45-33-21(18-42-16-20(17-42)19-43)9-11-27(40-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-15-38-29(34(41-28)46-2)14-37-13-22-10-12-30(44)39-22/h3-9,11,15,20,22,37,43H,10,12-14,16-19H2,1-2H3,(H,39,44)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452055 (US10710986, Example 195 | US11555029, No. 195) Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@@H](CC2)NC(C)=O)c(OC)n1 |r,wU:11.11,40.47,wD:37.40,(-9.45,-.38,;-9.45,-1.92,;-8.12,-2.69,;-6.78,-1.92,;-5.45,-2.69,;-5.45,-4.23,;-6.78,-5,;-8.12,-4.23,;-9.45,-5,;-10.78,-4.23,;-12.12,-5,;-13.45,-4.23,;-14.86,-4.86,;-15.89,-3.72,;-15.12,-2.38,;-15.75,-.98,;-13.61,-2.7,;-4.12,-1.92,;-4.12,-.38,;-2.78,.39,;-1.45,-.38,;-1.45,-1.92,;-2.78,-2.69,;-2.78,-4.23,;-.11,-2.69,;-.11,-4.23,;1.22,-5,;2.55,-4.23,;2.55,-2.69,;1.22,-1.92,;1.22,-.38,;3.89,-1.92,;3.89,-.38,;5.22,.39,;6.55,-.38,;7.89,.39,;9.22,-.38,;10.55,.38,;11.89,-.39,;13.22,.38,;13.22,1.92,;11.89,2.7,;10.55,1.92,;14.56,2.69,;14.56,4.23,;13.22,5,;15.89,5,;6.55,-1.92,;7.89,-2.69,;7.89,-4.23,;5.22,-2.69,)| Show InChI InChI=1S/C37H42Cl2N8O4/c1-21(48)44-23-12-10-22(11-13-23)41-20-32-37(51-3)47-30(19-43-32)28-9-5-7-26(35(28)39)25-6-4-8-27(34(25)38)29-18-42-31(36(46-29)50-2)17-40-16-24-14-15-33(49)45-24/h4-9,18-19,22-24,40-41H,10-17,20H2,1-3H3,(H,44,48)(H,45,49)/t22-,23-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452092 (US10710986, Example 231 | US11555029, No. 231) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)[C@H](C)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H39Cl2N7O4/c1-20-18-44(13-12-30(20)45)19-29-35(48-3)43-27(17-40-29)25-9-5-7-23(33(25)37)22-6-4-8-24(32(22)36)26-16-39-28(34(42-26)47-2)15-38-14-21-10-11-31(46)41-21/h4-9,16-17,20-21,30,38,45H,10-15,18-19H2,1-3H3,(H,41,46)/t20-,21+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452097 (US10710986, Example 236 | US11555029, No. 236) Show SMILES COc1nc(cnc1CNCCC1CCCO1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C35H39Cl2N7O4/c1-46-34-29(17-38-14-13-22-6-5-15-48-22)40-19-27(43-34)25-9-3-7-23(32(25)36)24-8-4-10-26(33(24)37)28-20-41-30(35(44-28)47-2)18-39-16-21-11-12-31(45)42-21/h3-4,7-10,19-22,38-39H,5-6,11-18H2,1-2H3,(H,42,45)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452514 (US10710986, Example 655 | US11555029, No. 655) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 |r| Show InChI InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452516 (US10710986, Example 657 | US11555029, No. 657) Show SMILES COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1 Show InChI InChI=1S/C34H36Cl2N8O6/c1-47-33-27(15-43-11-19(12-43)49-17-29(37)45)39-9-25(41-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-10-40-28(34(42-26)48-2)16-44-13-20(14-44)50-18-30(38)46/h3-10,19-20H,11-18H2,1-2H3,(H2,37,45)(H2,38,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452520 (US10710986, Example 661 | US11555029, No. 661) Show SMILES COc1nc(cnc1CNCC1CCNC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC2=O)c(OC)n1 Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-39-31(19)45)41-17-25(43-33)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)26-18-42-28(34(44-26)48-2)16-38-14-20-10-12-40-32(20)46/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,39,45)(H,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451906 (US10710986, Example 45 | US11555029, No. 45) Show SMILES COc1nc(cnc1CNCCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H34Cl2N8O4/c1-45-31-25(14-36-12-11-27(35)43)38-16-23(41-31)21-7-3-5-19(29(21)33)20-6-4-8-22(30(20)34)24-17-39-26(32(42-24)46-2)15-37-13-18-9-10-28(44)40-18/h3-8,16-18,36-37H,9-15H2,1-2H3,(H2,35,43)(H,40,44)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451976 (US10710986, Example 116 | US11555029, No. 116) Show SMILES COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:36| Show InChI InChI=1S/C30H28Cl2N6O3/c1-40-29-22(28-33-11-12-34-28)9-10-23(36-29)20-7-3-5-18(26(20)31)19-6-4-8-21(27(19)32)24-13-35-25(30(37-24)41-2)16-38-14-17(39)15-38/h3-10,13,17,39H,11-12,14-16H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451981 (US10710986, Example 121 | US11555029, No. 121) Show SMILES COc1nc(cnc1C1=NC[C@H](C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 |r,t:9,36| Show InChI InChI=1S/C30H28Cl2N8O2/c1-15-11-35-27(37-15)25-29(41-3)39-21(13-33-25)19-9-5-7-17(23(19)31)18-8-6-10-20(24(18)32)22-14-34-26(30(40-22)42-4)28-36-12-16(2)38-28/h5-10,13-16H,11-12H2,1-4H3,(H,35,37)(H,36,38)/t15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451987 (US10710986, Example 127 | US11555029, No. 127) Show SMILES COc1nc(cnc1C1=NCC(C)(C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCC(C)(C)N2)c(OC)n1 |t:9,37| Show InChI InChI=1S/C32H32Cl2N8O2/c1-31(2)15-37-27(41-31)25-29(43-5)39-21(13-35-25)19-11-7-9-17(23(19)33)18-10-8-12-20(24(18)34)22-14-36-26(30(40-22)44-6)28-38-16-32(3,4)42-28/h7-14H,15-16H2,1-6H3,(H,37,41)(H,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM451989 (US10710986, Example 129 | US11555029, No. 129) Show SMILES COc1nc(cnc1C1=NC[C@@H](C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 |r,t:9,36| Show InChI InChI=1S/C30H28Cl2N8O2/c1-15-11-35-27(37-15)25-29(41-3)39-21(13-33-25)19-9-5-7-17(23(19)31)18-8-6-10-20(24(18)32)22-14-34-26(30(40-22)42-4)28-36-12-16(2)38-28/h5-10,13-16H,11-12H2,1-4H3,(H,35,37)(H,36,38)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452092 (US10710986, Example 231 | US11555029, No. 231) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)[C@H](C)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H39Cl2N7O4/c1-20-18-44(13-12-30(20)45)19-29-35(48-3)43-27(17-40-29)25-9-5-7-23(33(25)37)22-6-4-8-24(32(22)36)26-16-39-28(34(42-26)47-2)15-38-14-21-10-11-31(46)41-21/h4-9,16-17,20-21,30,38,45H,10-15,18-19H2,1-3H3,(H,41,46)/t20-,21+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452097 (US10710986, Example 236 | US11555029, No. 236) Show SMILES COc1nc(cnc1CNCCC1CCCO1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C35H39Cl2N7O4/c1-46-34-29(17-38-14-13-22-6-5-15-48-22)40-19-27(43-34)25-9-3-7-23(32(25)36)24-8-4-10-26(33(24)37)28-20-41-30(35(44-28)47-2)18-39-16-21-11-12-31(45)42-21/h3-4,7-10,19-22,38-39H,5-6,11-18H2,1-2H3,(H,42,45)/t21-,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452098 (US10710986, Example 237 | US11555029, No. 237) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC(CCO)C2CC2)c(OC)n1 |r| Show InChI InChI=1S/C35H39Cl2N7O4/c1-47-34-29(16-38-15-21-11-12-31(46)42-21)40-17-27(43-34)24-7-3-5-22(32(24)36)23-6-4-8-25(33(23)37)28-18-41-30(35(44-28)48-2)19-39-26(13-14-45)20-9-10-20/h3-8,17-18,20-21,26,38-39,45H,9-16,19H2,1-2H3,(H,42,46)/t21-,26?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452136 (US10710986, Example 275 | US11555029, No. 275) Show SMILES COc1nc(cnc1CNC[C@H]1C[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:37.40,11.11,wD:13.14,(8.86,-1.93,;8.86,-.39,;7.52,.38,;6.19,-.39,;4.86,.38,;4.86,1.92,;6.19,2.69,;7.52,1.92,;8.86,2.69,;10.19,1.92,;11.53,2.7,;12.86,1.93,;14.19,2.7,;14.96,1.36,;16.45,.96,;13.63,.59,;3.52,-.39,;3.52,-1.93,;2.19,-2.7,;.86,-1.93,;.86,-.39,;2.19,.38,;2.19,1.92,;-.48,.38,;-.48,1.92,;-1.81,2.69,;-3.15,1.92,;-3.15,.38,;-1.81,-.39,;-1.81,-1.93,;-4.48,-.39,;-4.48,-1.93,;-5.81,-2.7,;-7.15,-1.93,;-8.48,-2.7,;-9.81,-1.93,;-11.15,-2.7,;-12.48,-1.93,;-12.64,-.39,;-14.15,-.07,;-14.92,-1.41,;-16.45,-1.57,;-13.89,-2.55,;-7.15,-.39,;-8.48,.38,;-8.48,1.92,;-5.81,.38,)| Show InChI InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-13-19-11-21(44)12-19)39-17-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-18-40-29(34(43-27)47-2)16-38-14-20-9-10-30(45)41-20/h3-8,17-21,37-38,44H,9-16H2,1-2H3,(H,41,45)/t19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452001 (US10710986, Example 141 | US11555029, No. 141) Show SMILES COc1nc(cnc1C1=NCCN1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:9,35| Show InChI InChI=1S/C28H24Cl2N8O2/c1-39-27-23(25-31-9-10-32-25)35-13-19(37-27)17-7-3-5-15(21(17)29)16-6-4-8-18(22(16)30)20-14-36-24(28(38-20)40-2)26-33-11-12-34-26/h3-8,13-14H,9-12H2,1-2H3,(H,31,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452017 (US10710986, Example 157 | US11555029, No. 157) Show SMILES COc1nc(ccc1CN1CC(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N6O4/c1-45-33-21(18-42-16-20(17-42)19-43)9-11-27(40-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-15-38-29(34(41-28)46-2)14-37-13-22-10-12-30(44)39-22/h3-9,11,15,20,22,37,43H,10,12-14,16-19H2,1-2H3,(H,39,44)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452055 (US10710986, Example 195 | US11555029, No. 195) Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@@H](CC2)NC(C)=O)c(OC)n1 |r,wU:11.11,40.47,wD:37.40,(-9.45,-.38,;-9.45,-1.92,;-8.12,-2.69,;-6.78,-1.92,;-5.45,-2.69,;-5.45,-4.23,;-6.78,-5,;-8.12,-4.23,;-9.45,-5,;-10.78,-4.23,;-12.12,-5,;-13.45,-4.23,;-14.86,-4.86,;-15.89,-3.72,;-15.12,-2.38,;-15.75,-.98,;-13.61,-2.7,;-4.12,-1.92,;-4.12,-.38,;-2.78,.39,;-1.45,-.38,;-1.45,-1.92,;-2.78,-2.69,;-2.78,-4.23,;-.11,-2.69,;-.11,-4.23,;1.22,-5,;2.55,-4.23,;2.55,-2.69,;1.22,-1.92,;1.22,-.38,;3.89,-1.92,;3.89,-.38,;5.22,.39,;6.55,-.38,;7.89,.39,;9.22,-.38,;10.55,.38,;11.89,-.39,;13.22,.38,;13.22,1.92,;11.89,2.7,;10.55,1.92,;14.56,2.69,;14.56,4.23,;13.22,5,;15.89,5,;6.55,-1.92,;7.89,-2.69,;7.89,-4.23,;5.22,-2.69,)| Show InChI InChI=1S/C37H42Cl2N8O4/c1-21(48)44-23-12-10-22(11-13-23)41-20-32-37(51-3)47-30(19-43-32)28-9-5-7-26(35(28)39)25-6-4-8-27(34(25)38)29-18-42-31(36(46-29)50-2)17-40-16-24-14-15-33(49)45-24/h4-9,18-19,22-24,40-41H,10-17,20H2,1-3H3,(H,44,48)(H,45,49)/t22-,23-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451906 (US10710986, Example 45 | US11555029, No. 45) Show SMILES COc1nc(cnc1CNCCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H34Cl2N8O4/c1-45-31-25(14-36-12-11-27(35)43)38-16-23(41-31)21-7-3-5-19(29(21)33)20-6-4-8-22(30(20)34)24-17-39-26(32(42-24)46-2)15-37-13-18-9-10-28(44)40-18/h3-8,16-18,36-37H,9-15H2,1-2H3,(H2,35,43)(H,40,44)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451938 (US10710986, Example 78 | US11555029, No. 78) Show SMILES CNc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(NC)n1 Show InChI InChI=1S/C36H38Cl2N10O2/c1-39-33-27(13-47-17-35(18-47)9-29(49)43-15-35)41-11-25(45-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-12-42-28(34(40-2)46-26)14-48-19-36(20-48)10-30(50)44-16-36/h3-8,11-12H,9-10,13-20H2,1-2H3,(H,39,45)(H,40,46)(H,43,49)(H,44,50)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451974 (US10710986, Example 114 | US11555029, No. 114) Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:41| Show InChI InChI=1S/C33H31Cl2N7O3/c1-44-31-23(30-36-11-12-37-30)9-10-24(40-31)21-7-3-5-19(28(21)34)20-6-4-8-22(29(20)35)25-14-38-26(32(41-25)45-2)15-42-17-33(18-42)13-27(43)39-16-33/h3-10,14H,11-13,15-18H2,1-2H3,(H,36,37)(H,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair

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