Compile Data Set for Download or QSAR

Found 8682 hits for UniProtKB: Q9NZQ7   

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
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50604885 (CHEMBL5177177) Show SMILES Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114327 BindingDB Entry DOI: 10.7270/Q2NP28GR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50587715 (CHEMBL5202283) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1ccc(CCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccnc(c1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113170 BindingDB Entry DOI: 10.7270/Q2M049CC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50507505 (CHEMBL4529967) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(CCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccnc(c1)C#N |r| Show InChI InChI=1S/C34H31BrClN3O3/c35-33-25(9-6-10-29(33)24-7-2-1-3-8-24)12-13-26-19-32(42-22-23-14-15-38-28(17-23)20-37)27(18-30(26)36)21-39-16-5-4-11-31(39)34(40)41/h1-3,6-10,14-15,17-19,31H,4-5,11-13,16,21-22H2,(H,40,41)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PD1 (25 to 167 residues)/human PDL1 (19 to 238 residues) interaction after 40 mins by HTRF assay				J Med Chem 62: 1715-1730 (2019) Article DOI: 10.1021/acs.jmedchem.8b00990 BindingDB Entry DOI: 10.7270/Q26976VX
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM491037 ((S)—N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(p...) Show SMILES OC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1cccnc1)C(O)=O |r| Show InChI InChI=1S/C29H26BrClN2O5/c30-28-21(9-4-10-23(28)20-7-2-1-3-8-20)18-38-27-13-26(37-17-19-6-5-11-32-14-19)22(12-24(27)31)15-33-25(16-34)29(35)36/h1-14,25,33-34H,15-18H2,(H,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.000100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD US Patent					Assay Description In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Princip...				US Patent US10975049 (2021) BindingDB Entry DOI: 10.7270/Q20C4ZW5
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575561 (N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...) Show SMILES COc1cc(ncc1CNCC1(O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCC3(O)CC3)cn2)c1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575599 ((1s,1's,3s,3's)-3,3'-((((((2,2'- dimethyl-[1,1'-bi...) Show SMILES COc1cc(ncc1CN[C@H]1C[C@H](C1)C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3C[C@H](C3)C(O)=O)cn2)c1C |r,wU:43.45,10.10,45.50,12.15,(11.34,-1.92,;11.34,-.38,;10,.39,;8.67,-.38,;7.34,.39,;7.34,1.93,;8.67,2.7,;10,1.93,;11.34,2.7,;12.67,1.93,;14,2.7,;14.4,4.18,;15.89,3.78,;15.49,2.3,;17.22,4.55,;18.56,3.78,;17.22,6.09,;6,-.38,;6,-1.92,;4.67,.39,;3.33,-.38,;3.33,-1.92,;2,-2.69,;.67,-1.92,;.67,-.38,;2,.39,;2,1.93,;-.67,.39,;-.67,1.93,;-2,2.7,;-3.33,1.93,;-3.33,.39,;-4.67,-.38,;-6,.39,;-6,1.93,;-7.34,-.38,;-8.67,.39,;-10,-.38,;-11.34,.39,;-11.34,1.93,;-10,-1.92,;-11.34,-2.69,;-12.67,-1.92,;-14,-2.7,;-14.4,-4.18,;-15.89,-3.78,;-15.49,-2.3,;-17.22,-4.55,;-18.56,-3.78,;-17.22,-6.09,;-8.67,-2.69,;-7.34,-1.92,;-2,-.38,;-2,-1.92,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50587714 (CHEMBL5182195) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CCO)C(O)=O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cccnc3)c(CN[C@@H](CCO)C(O)=O)cc2Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113170 BindingDB Entry DOI: 10.7270/Q2M049CC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575553 (N,N'-(2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis...) Show SMILES COc1cc(ncc1CN(C)CCO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN(C)CCO)cn2)c1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50567288 (CHEMBL4865838) Show SMILES CS(=O)(=O)c1cncc(COc2nc(O[C@H]3CCc4c3cccc4-c3cccc4[C@H](CCc34)Oc3nc(OCc4cncc(c4)S(C)(=O)=O)c(CN4C[C@@H](O)C[C@H]4C(O)=O)cc3Cl)c(Cl)cc2CN2C[C@@H](O)C[C@H]2C(O)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD1/PD-L1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116370 BindingDB Entry DOI: 10.7270/Q2DN48S1
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50567287 (CHEMBL4862360) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc3[C@H](CCc23)Oc2nc(OCc3cncc(c3)S(C)(=O)=O)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nc1OCc1cncc(c1)S(C)(=O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD1/PD-L1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116370 BindingDB Entry DOI: 10.7270/Q2DN48S1
					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))	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))	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/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))	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/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))	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 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/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452303 (US10710986, Example 441 | US11555029, No. 441) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cn[nH]c2)c(OC)n1 |r| Show InChI	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))	BDBM452309 (US10710986, Example 447 | US11555029, No. 447) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 Show InChI InChI=1S/C35H37Cl2N7O4/c1-21(45)44-19-35(20-44)17-43(18-35)14-29-33(48-4)41-27(12-39-29)25-10-6-8-23(31(25)37)22-7-5-9-24(30(22)36)26-11-38-28(32(40-26)47-3)13-42-15-34(2,46)16-42/h5-12,46H,13-20H2,1-4H3	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))	BDBM452310 (US10710986, Example 448 | US11555029, No. 448) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H36Cl2N6O4/c1-33(43)18-41(19-33)16-28-32(45-3)39-26(13-37-28)24-9-5-7-22(30(24)35)21-6-4-8-23(29(21)34)25-12-36-27(31(38-25)44-2)15-40-11-10-20(14-40)17-42/h4-9,12-13,20,42-43H,10-11,14-19H2,1-3H3/t20-/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))	BDBM452312 (US10710986, Example 450 | US11555029, No. 450) Show SMILES COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1 Show InChI InChI=1S/C39H38Cl2N8O3/c1-47-16-24(17-48-19-38(20-48)11-9-32(50)45-38)36-31(47)13-23(14-43-36)25-5-3-6-26(34(25)40)27-7-4-8-28(35(27)41)29-15-42-30(37(44-29)52-2)18-49-21-39(22-49)12-10-33(51)46-39/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,45,50)(H,46,51)	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))	BDBM452316 (US10710986, Example 454 | US11555029, No. 454) Show SMILES COc1nc(cnc1CNCCOC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCOC(N)=O)c(OC)n1 Show InChI InChI=1S/C30H32Cl2N8O6/c1-43-27-23(13-35-9-11-45-29(33)41)37-15-21(39-27)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)22-16-38-24(28(40-22)44-2)14-36-10-12-46-30(34)42/h3-8,15-16,35-36H,9-14H2,1-2H3,(H2,33,41)(H2,34,42)	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))	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 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))	BDBM452406 (US10710986, Example 547 | US11555029, No. 547) Show SMILES COc1nc(cnc1CNCC1CN(C1)S(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H38Cl2N8O5S/c1-48-33-28(14-37-12-20-18-44(19-20)50(3,46)47)39-16-26(42-33)24-8-4-6-22(31(24)35)23-7-5-9-25(32(23)36)27-17-40-29(34(43-27)49-2)15-38-13-21-10-11-30(45)41-21/h4-9,16-17,20-21,37-38H,10-15,18-19H2,1-3H3,(H,41,45)/t21-/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))	BDBM452417 (US10710986, Example 558 | US11555029, No. 558) Show SMILES CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 |r| Show InChI InChI=1S/C34H36Cl2N8O4/c1-37-32(46)19-16-44(17-19)18-28-34(48-3)43-26(15-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-14-39-27(33(42-25)47-2)13-38-12-20-10-11-29(45)41-20/h4-9,14-15,19-20,38H,10-13,16-18H2,1-3H3,(H,37,46)(H,41,45)/t20-/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))	BDBM452426 (US10710986, Example 567 | US11555029, No. 567) Show SMILES COc1nc(cnc1CNC[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:38.41,11.11,13.14,wD:13.15,(8.97,-1.93,;8.97,-.38,;7.63,.38,;6.3,-.38,;4.97,.38,;4.97,1.93,;6.3,2.69,;7.63,1.93,;8.97,2.69,;10.3,1.93,;11.63,2.69,;12.97,1.92,;14.46,2.32,;14.85,.84,;16.34,1.23,;15.25,-.65,;13.37,.44,;3.63,-.38,;3.63,-1.93,;2.3,-2.69,;.96,-1.93,;.96,-.38,;2.3,.38,;2.3,1.93,;-.37,.38,;-.37,1.93,;-1.7,2.69,;-3.04,1.93,;-3.04,.38,;-1.7,-.38,;-1.7,-1.93,;-4.37,-.38,;-4.37,-1.93,;-5.7,-2.69,;-7.04,-1.93,;-8.37,-2.69,;-9.7,-1.93,;-11.04,-2.69,;-12.37,-1.93,;-12.53,-.39,;-14.04,-.07,;-14.81,-1.41,;-16.34,-1.57,;-13.78,-2.55,;-7.04,-.38,;-8.37,.38,;-8.37,1.93,;-5.7,.38,)| Show InChI InChI=1S/C35H39Cl2N7O4/c1-35(46)12-20(13-35)14-38-16-28-33(47-2)43-26(18-40-28)24-8-4-6-22(31(24)36)23-7-5-9-25(32(23)37)27-19-41-29(34(44-27)48-3)17-39-15-21-10-11-30(45)42-21/h4-9,18-21,38-39,46H,10-17H2,1-3H3,(H,42,45)/t20-,21-,35-/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))	BDBM452430 (US10710986, Example 571 | US11555029, No. 571) Show SMILES COc1nc(cnc1CN1CC(C1)NS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NS(N)(=O)=O)c(OC)n1 Show InChI InChI=1S/C30H34Cl2N10O6S2/c1-47-29-25(15-41-11-17(12-41)39-49(33,43)44)35-9-23(37-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-36-26(30(38-24)48-2)16-42-13-18(14-42)40-50(34,45)46/h3-10,17-18,39-40H,11-16H2,1-2H3,(H2,33,43,44)(H2,34,45,46)	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))	BDBM452431 (US10710986, Example 572 | US11555029, No. 572) Show SMILES CNS(=O)(=O)CCNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H36Cl2N8O5S/c1-35-48(44,45)13-12-36-15-26-31(46-2)41-24(17-38-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-18-39-27(32(42-25)47-3)16-37-14-19-10-11-28(43)40-19/h4-9,17-19,35-37H,10-16H2,1-3H3,(H,40,43)/t19-/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))	BDBM452434 (US10710986, Example 575 | US11555029, No. 575) Show SMILES COc1nc(cnc1CNCCNS(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCNS(C)(=O)=O)c(OC)n1 Show InChI InChI=1S/C30H36Cl2N8O6S2/c1-45-29-25(15-33-11-13-37-47(3,41)42)35-17-23(39-29)21-9-5-7-19(27(21)31)20-8-6-10-22(28(20)32)24-18-36-26(30(40-24)46-2)16-34-12-14-38-48(4,43)44/h5-10,17-18,33-34,37-38H,11-16H2,1-4H3	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))	BDBM452436 (US10710986, Example 577 | US11555029, No. 577) Show SMILES COc1nc(cnc1CNCCCS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H36Cl2N8O5S/c1-46-31-26(15-36-12-5-13-48(35,44)45)38-17-24(41-31)22-8-3-6-20(29(22)33)21-7-4-9-23(30(21)34)25-18-39-27(32(42-25)47-2)16-37-14-19-10-11-28(43)40-19/h3-4,6-9,17-19,36-37H,5,10-16H2,1-2H3,(H,40,43)(H2,35,44,45)/t19-/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))	BDBM452442 (US10710986, Example 583 | US11555029, No. 583) Show SMILES COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:31| Show InChI InChI=1S/C27H24Cl2N6O2/c1-36-26-19(25-31-11-12-32-25)9-10-20(34-26)17-7-3-5-15(23(17)28)16-6-4-8-18(24(16)29)22-14-33-21(13-30)27(35-22)37-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)	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))	BDBM452454 (US10710986, Example 595 | US11555029, No. 595) Show SMILES COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 Show InChI InChI=1S/C30H29Cl2N7O3/c1-41-28-21(11-33)34-12-22(36-28)19-7-3-5-17(26(19)31)18-6-4-8-20(27(18)32)23-13-35-24(29(37-23)42-2)14-39-15-30(16-39)10-9-25(40)38-30/h3-8,12-13H,9-11,14-16,33H2,1-2H3,(H,38,40)	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))	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 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))	BDBM452459 (US10710986, Example 600 | US11555029, No. 600) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@@](O)(CO)C2)c(OC)n1 |r,wU:11.11,37.40,39.44,wD:39.43,(-7.9,.44,;-7.9,-1.1,;-6.57,-1.87,;-5.24,-1.1,;-3.9,-1.87,;-3.9,-3.41,;-5.24,-4.18,;-6.57,-3.41,;-7.9,-4.18,;-9.24,-3.41,;-10.57,-4.18,;-11.9,-3.41,;-12.07,-1.88,;-13.57,-1.56,;-14.34,-2.89,;-15.87,-3.06,;-13.31,-4.04,;-2.57,-1.1,;-2.57,.44,;-1.24,1.21,;.1,.44,;.1,-1.1,;-1.24,-1.87,;-1.24,-3.41,;1.43,-1.87,;1.43,-3.41,;2.77,-4.18,;4.1,-3.41,;4.1,-1.87,;2.77,-1.1,;2.77,.44,;5.43,-1.1,;5.43,.44,;6.77,1.21,;8.1,.44,;9.43,1.21,;10.77,.44,;12.1,1.21,;12.5,2.7,;13.99,2.3,;15.48,1.9,;14.39,3.78,;15.87,4.18,;13.59,.81,;8.1,-1.1,;9.43,-1.87,;9.43,-3.41,;6.77,-1.87,)| Show InChI InChI=1S/C34H37Cl2N7O5/c1-47-32-27(14-37-13-19-9-10-29(45)41-19)39-15-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-40-28(33(43-26)48-2)17-38-20-11-34(46,12-20)18-44/h3-8,15-16,19-20,37-38,44,46H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,20-,34-/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))	BDBM452463 (US10710986, Example 604 | US11555029, No. 604) Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 |r| Show InChI InChI=1S/C38H39Cl2N9O3/c1-22(50)49-20-38(21-49)18-48(19-38)17-23-16-47(2)36-35(23)43-15-29(45-36)27-8-4-6-25(33(27)39)26-7-5-9-28(34(26)40)30-14-42-31(37(46-30)52-3)13-41-12-24-10-11-32(51)44-24/h4-9,14-16,24,41H,10-13,17-21H2,1-3H3,(H,44,51)/t24-/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))	BDBM452466 (US10710986, Example 607 | US11555029, No. 607) Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CNC(=O)C4)cn(C)c2n1 Show InChI InChI=1S/C38H37Cl2N9O3/c1-47-13-22(14-48-18-37(19-48)9-30(50)43-16-37)34-35(47)45-27(12-42-34)25-7-3-5-23(32(25)39)24-6-4-8-26(33(24)40)28-11-41-29(36(46-28)52-2)15-49-20-38(21-49)10-31(51)44-17-38/h3-8,11-13H,9-10,14-21H2,1-2H3,(H,43,50)(H,44,51)	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))	BDBM452467 (US10710986, Example 608 | US11555029, No. 608) Show SMILES CCn1cc(CN2CC3(C2)CN(C3)C(C)=O)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 Show InChI InChI=1S/C41H43Cl2N9O3/c1-5-50-15-27(14-48-17-40(18-48)21-51(22-40)25(2)53)37-38(50)46-32(13-45-37)30-10-6-8-28(35(30)42)29-9-7-11-31(36(29)43)33-12-44-34(39(47-33)55-4)16-49-19-41(20-49)23-52(24-41)26(3)54/h6-13,15H,5,14,16-24H2,1-4H3	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))	BDBM452471 (US10710986, Example 612 | US11555029, No. 612) Show SMILES COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 Show InChI InChI=1S/C40H41Cl2N9O3/c1-24(52)50-20-39(21-50)16-48(17-39)14-26-13-47(3)37-36(26)44-12-31(45-37)29-9-5-7-27(34(29)41)28-8-6-10-30(35(28)42)32-11-43-33(38(46-32)54-4)15-49-18-40(19-49)22-51(23-40)25(2)53/h5-13H,14-23H2,1-4H3	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))	BDBM452476 (US10710986, Example 617 | US11555029, No. 617) Show SMILES COc1nc(ccc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 Show InChI InChI=1S/C39H41ClFN7O4/c1-24(49)47-20-38(21-47)16-45(17-38)14-26-11-12-31(43-36(26)51-3)29-9-5-7-27(34(29)40)28-8-6-10-30(35(28)41)32-13-42-33(37(44-32)52-4)15-46-18-39(19-46)22-48(23-39)25(2)50/h5-13H,14-23H2,1-4H3	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))	BDBM452477 (US10710986, Example 618 | US11555029, No. 618) Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 Show InChI InChI=1S/C37H37ClFN7O4/c1-49-34-22(16-45-18-36(19-45)13-11-30(47)43-36)9-10-27(41-34)25-7-3-5-23(32(25)38)24-6-4-8-26(33(24)39)28-15-40-29(35(42-28)50-2)17-46-20-37(21-46)14-12-31(48)44-37/h3-10,15H,11-14,16-21H2,1-2H3,(H,43,47)(H,44,48)	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))	BDBM452482 (US10710986, Example 623 | US11555029, No. 623) Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)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)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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))	BDBM452485 (US10710986, Example 626 | US11555029, No. 626) Show SMILES COc1nc(cnc1CN1CC[C@@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H38Cl2N6O4/c1-45-33-29(17-41-11-9-21(15-41)19-43)37-13-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-14-38-30(34(40-28)46-2)18-42-12-10-22(16-42)20-44/h3-8,13-14,21-22,43-44H,9-12,15-20H2,1-2H3/t21-,22-/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))	BDBM452487 (US10710986, Example 628 | US11555029, No. 628) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C36H39Cl2N7O4/c1-20-14-28(44-35(48-2)27(20)17-39-15-21-10-12-31(46)42-21)25-8-4-6-23(33(25)37)24-7-5-9-26(34(24)38)29-19-41-30(36(45-29)49-3)18-40-16-22-11-13-32(47)43-22/h4-9,14,19,21-22,39-40H,10-13,15-18H2,1-3H3,(H,42,46)(H,43,47)/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))	BDBM452490 (US10710986, Example 631 | US11555029, No. 631) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N6O4/c1-34(44)18-42(19-34)17-28-33(46-3)41-27(16-38-28)25-9-5-7-23(31(25)36)22-6-4-8-24(30(22)35)26-12-10-20(32(40-26)45-2)14-37-15-21-11-13-29(43)39-21/h4-10,12,16,21,37,44H,11,13-15,17-19H2,1-3H3,(H,39,43)/t21-/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))	BDBM452492 (US10710986, Example 633 | US11555029, No. 633) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 |r| Show InChI InChI=1S/C36H37Cl2N7O4/c1-48-34-21(14-39-15-22-10-12-30(46)42-22)9-11-27(43-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-16-40-29(35(44-28)49-2)17-45-19-36(20-45)13-31(47)41-18-36/h3-9,11,16,22,39H,10,12-15,17-20H2,1-2H3,(H,41,47)(H,42,46)/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

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