Compile Data Set for Download or QSAR

Found 486 hits with Last Name = 'connolly' and Initial = 'tp'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363393 (N-(2-(4-(2-cyano-3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES CC(=O)NCCNCc1cc(C)c(OCc2cccc(-c3ccc4OCCOc4c3)c2C#N)cc1OCc1cncc(c1)C#N Show InChI InChI=1S/C35H33N5O5/c1-23-12-29(20-38-8-9-40-24(2)41)34(44-21-26-13-25(16-36)18-39-19-26)15-33(23)45-22-28-4-3-5-30(31(28)17-37)27-6-7-32-35(14-27)43-11-10-42-32/h3-7,12-15,18-19,38H,8-11,20-22H2,1-2H3,(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363331 ((S)-4-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H](O)CC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/c1-21-25(3-2-4-28(21)24-5-6-30-33(11-24)43-8-7-42-30)20-45-32-13-31(44-19-23-9-22(14-36)15-37-16-23)26(10-29(32)35)17-38-18-27(39)12-34(40)41/h2-6,9-11,13,15-16,27,38-39H,7-8,12,17-20H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239948 (CHEMBL4071326 | US9850225, Example 1166) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363278 ((2S,4R)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363373 ((R)-1-(2-((5-cyanopyridin-3-yl)methoxy)-4-(3-(2,3-...) Show SMILES Cc1cc(CN2CCCC[C@@H]2C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H37N3O6/c1-24-14-30(21-40-11-4-3-8-32(40)37(41)42)35(45-22-27-15-26(18-38)19-39-20-27)17-34(24)46-23-29-6-5-7-31(25(29)2)28-9-10-33-36(16-28)44-13-12-43-33/h5-7,9-10,14-17,19-20,32H,3-4,8,11-13,21-23H2,1-2H3,(H,41,42)/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273914 (CHEMBL4126686) Show SMILES Cc1cc(F)ccc1CNC(=O)c1nc2n(CCOC2(C)C)c(=O)c1O Show InChI InChI=1S/C18H20FN3O4/c1-10-8-12(19)5-4-11(10)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273951 (CHEMBL4126165) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCCC33CCCC3)c(=O)c2O)ccc1F Show InChI InChI=1S/C21H24FN3O3/c1-13-11-14(5-6-15(13)22)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363064 ((R)-2-(2-(3-cyanobenzyloxy)-4-(3-(2,3-dihydrobenzo...) Show SMILES Cc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@](C)(CO)C(O)=O |r| Show InChI InChI=1S/C36H36N2O7/c1-23-14-29(44-21-28-8-5-9-30(24(28)2)27-10-11-32-34(16-27)43-13-12-42-32)17-33(31(23)19-38-36(3,22-39)35(40)41)45-20-26-7-4-6-25(15-26)18-37/h4-11,14-17,38-39H,12-13,19-22H2,1-3H3,(H,40,41)/t36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363286 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CCO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(6-3-7-28(22)25-8-9-31-34(16-25)43-13-12-42-31)21-45-33-17-32(44-20-24-5-2-4-23(14-24)18-37)27(15-29(33)36)19-38-30(10-11-39)35(40)41/h2-9,14-17,30,38-39H,10-13,19-21H2,1H3,(H,40,41)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.71	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273916 (CHEMBL4126289) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C17H18FN3O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-3-5-11(18)6-4-10/h3-6,22H,7-9H2,1-2H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273913 (CHEMBL4127663) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc1F Show InChI InChI=1S/C18H20FN3O4/c1-10-8-11(4-5-12(10)19)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273915 (CHEMBL4127891) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)c(Cl)c1)c(O)c2=O Show InChI InChI=1S/C17H17ClFN3O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-11(19)10(18)7-9/h3-4,7,23H,5-6,8H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273903 (CHEMBL4129717) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H22FN3O3/c21-14-6-4-13(5-7-14)12-22-17(26)15-16(25)18(27)24-11-3-10-20(19(24)23-15)8-1-2-9-20/h4-7,25H,1-3,8-12H2,(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273950 (CHEMBL4128240) Show SMILES CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C21H24FN3O5S/c1-31(29,30)15-11-14(22)6-5-13(15)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363080 ((R)-2-((2-((3-cyanobenzyl)oxy)-4-((2-methyl-[1,1&#...) Show SMILES Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C32H30N2O5/c1-22-27(11-6-12-29(22)25-9-3-2-4-10-25)21-38-28-14-13-26(18-34-30(19-35)32(36)37)31(16-28)39-20-24-8-5-7-23(15-24)17-33/h2-16,30,34-35H,18-21H2,1H3,(H,36,37)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273948 (CHEMBL4127873) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O Show InChI InChI=1S/C24H29FN4O5S/c25-17-7-6-16(18(14-17)29-12-3-4-13-35(29,33)34)15-26-21(31)19-20(30)22(32)28-11-5-10-24(23(28)27-19)8-1-2-9-24/h6-7,14,30H,1-5,8-13,15H2,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273965 (CHEMBL4127923) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOCC1)c(O)c2=O Show InChI InChI=1S/C21H25FN4O5/c1-21(2)20-24-16(17(27)19(29)26(20)7-10-31-21)18(28)23-12-13-3-4-14(22)11-15(13)25-5-8-30-9-6-25/h3-4,11,27H,5-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363211 ((R)-2-((2-((3-cyanobenzyl)oxy)-6-methoxy-4-((2-met...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OCc2cccc(c2)C#N)c1CN[C@H](CO)C(O)=O |r| Show InChI InChI=1S/C33H32N2O6/c1-22-26(12-7-13-28(22)25-10-4-3-5-11-25)21-40-27-15-31(39-2)29(18-35-30(19-36)33(37)38)32(16-27)41-20-24-9-6-8-23(14-24)17-34/h3-16,30,35-36H,18-21H2,1-2H3,(H,37,38)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363212 ((2R,3S)-2-((2-((3-cyanobenzyl)oxy)-6-methoxy-4-((2...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OCc2cccc(c2)C#N)c1CN[C@H]([C@H](C)O)C(O)=O |r| Show InChI InChI=1S/C34H34N2O6/c1-22-27(13-8-14-29(22)26-11-5-4-6-12-26)21-41-28-16-31(40-3)30(19-36-33(23(2)37)34(38)39)32(17-28)42-20-25-10-7-9-24(15-25)18-35/h4-17,23,33,36-37H,19-21H2,1-3H3,(H,38,39)/t23-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363213 ((2S,3S)-2-((2-((3-cyanobenzyl)oxy)-6-methoxy-4-((2...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OCc2cccc(c2)C#N)c1CN[C@@H]([C@H](C)O)C(O)=O |r| Show InChI InChI=1S/C34H34N2O6/c1-22-27(13-8-14-29(22)26-11-5-4-6-12-26)21-41-28-16-31(40-3)30(19-36-33(23(2)37)34(38)39)32(17-28)42-20-25-10-7-9-24(15-25)18-35/h4-17,23,33,36-37H,19-21H2,1-3H3,(H,38,39)/t23-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363214 (2-((2-((3-cyanobenzyl)oxy)-6-methoxy-4-((2-methyl-...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OCc2cccc(c2)C#N)c1CNC(C)(CO)C(O)=O Show InChI InChI=1S/C34H34N2O6/c1-23-27(13-8-14-29(23)26-11-5-4-6-12-26)21-41-28-16-31(40-3)30(19-36-34(2,22-37)33(38)39)32(17-28)42-20-25-10-7-9-24(15-25)18-35/h4-17,36-37H,19-22H2,1-3H3,(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363216 ((R)-2-((2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrob...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@H](CO)C(O)=O |r| Show InChI InChI=1S/C35H34N2O8/c1-22-26(7-4-8-28(22)25-9-10-31-34(14-25)43-12-11-42-31)21-44-27-15-32(41-2)29(18-37-30(19-38)35(39)40)33(16-27)45-20-24-6-3-5-23(13-24)17-36/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363217 ((S)-4-((2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrob...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CNC[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C36H36N2O8/c1-23-27(7-4-8-30(23)26-9-10-32-35(14-26)44-12-11-43-32)22-45-29-16-33(42-2)31(20-38-19-28(39)15-36(40)41)34(17-29)46-21-25-6-3-5-24(13-25)18-37/h3-10,13-14,16-17,28,38-39H,11-12,15,19-22H2,1-2H3,(H,40,41)/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363218 ((S)-2-((2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrob...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C35H34N2O8/c1-22-26(7-4-8-28(22)25-9-10-31-34(14-25)43-12-11-42-31)21-44-27-15-32(41-2)29(18-37-30(19-38)35(39)40)33(16-27)45-20-24-6-3-5-23(13-24)17-36/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363219 ((S)-2-((2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrob...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@@](C)(CO)C(O)=O |r| Show InChI InChI=1S/C36H36N2O8/c1-23-27(8-5-9-29(23)26-10-11-31-34(15-26)44-13-12-43-31)21-45-28-16-32(42-3)30(19-38-36(2,22-39)35(40)41)33(17-28)46-20-25-7-4-6-24(14-25)18-37/h4-11,14-17,38-39H,12-13,19-22H2,1-3H3,(H,40,41)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363220 ((R)-2-((2-(4-cyanobutoxy)-4-((2-methyl-[1,1′...) Show SMILES Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)c(OCCCCC#N)c2)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N2O5/c1-21-24(11-8-12-26(21)22-9-4-2-5-10-22)20-36-25-14-13-23(18-31-27(19-32)29(33)34)28(17-25)35-16-7-3-6-15-30/h2,4-5,8-14,17,27,31-32H,3,6-7,16,18-20H2,1H3,(H,33,34)/t27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363221 ((S)-4-((2-(4-cyanobutoxy)-4-((2-methyl-[1,1′...) Show SMILES Cc1c(COc2ccc(CNC[C@@H](O)CC(O)=O)c(OCCCCC#N)c2)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C30H34N2O5/c1-22-25(11-8-12-28(22)23-9-4-2-5-10-23)21-37-27-14-13-24(19-32-20-26(33)17-30(34)35)29(18-27)36-16-7-3-6-15-31/h2,4-5,8-14,18,26,32-33H,3,6-7,16-17,19-21H2,1H3,(H,34,35)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363223 ((R)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES OC[C@@H](NCc1ccc(OCc2cccc(c2Cl)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H29ClN2O7/c34-32-25(5-2-6-27(32)23-8-10-29-31(14-23)41-12-11-40-29)20-42-26-9-7-24(17-36-28(18-37)33(38)39)30(15-26)43-19-22-4-1-3-21(13-22)16-35/h1-10,13-15,28,36-37H,11-12,17-20H2,(H,38,39)/t28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363224 ((S)-4-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES O[C@H](CNCc1ccc(OCc2cccc(c2Cl)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)CC(O)=O |r| Show InChI InChI=1S/C34H31ClN2O7/c35-34-26(5-2-6-29(34)24-8-10-30-32(14-24)42-12-11-41-30)21-43-28-9-7-25(18-37-19-27(38)15-33(39)40)31(16-28)44-20-23-4-1-3-22(13-23)17-36/h1-10,13-14,16,27,37-38H,11-12,15,18-21H2,(H,39,40)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363225 ((R)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES C[C@](CO)(NCc1ccc(OCc2cccc(c2Cl)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C34H31ClN2O7/c1-34(21-38,33(39)40)37-18-25-8-10-27(16-30(25)44-19-23-5-2-4-22(14-23)17-36)43-20-26-6-3-7-28(32(26)35)24-9-11-29-31(15-24)42-13-12-41-29/h2-11,14-16,37-38H,12-13,18-21H2,1H3,(H,39,40)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363226 ((S)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES C[C@@](CO)(NCc1ccc(OCc2cccc(c2Cl)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C34H31ClN2O7/c1-34(21-38,33(39)40)37-18-25-8-10-27(16-30(25)44-19-23-5-2-4-22(14-23)17-36)43-20-26-6-3-7-28(32(26)35)24-9-11-29-31(15-24)42-13-12-41-29/h2-11,14-16,37-38H,12-13,18-21H2,1H3,(H,39,40)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363228 (5-((5-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-...) Show SMILES Cc1cc(CNCCO)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C32H30ClN3O5/c1-21-11-26(18-35-7-8-37)30(40-19-23-12-22(15-34)16-36-17-23)14-29(21)41-20-25-3-2-4-27(32(25)33)24-5-6-28-31(13-24)39-10-9-38-28/h2-6,11-14,16-17,35,37H,7-10,18-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363229 ((S)-1-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES Cc1cc(CN2CCCC[C@H]2C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H34ClN3O6/c1-23-13-28(20-40-10-3-2-7-30(40)36(41)42)33(45-21-25-14-24(17-38)18-39-19-25)16-32(23)46-22-27-5-4-6-29(35(27)37)26-8-9-31-34(15-26)44-12-11-43-31/h4-6,8-9,13-16,18-19,30H,2-3,7,10-12,20-22H2,1H3,(H,41,42)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363230 ((R)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C33H30ClN3O7/c1-20-9-25(16-37-27(17-38)33(39)40)30(43-18-22-10-21(13-35)14-36-15-22)12-29(20)44-19-24-3-2-4-26(32(24)34)23-5-6-28-31(11-23)42-8-7-41-28/h2-6,9-12,14-15,27,37-38H,7-8,16-19H2,1H3,(H,39,40)/t27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363231 ((S)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES Cc1cc(CN[C@@](C)(CO)C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/c1-21-10-26(17-38-34(2,20-39)33(40)41)30(44-18-23-11-22(14-36)15-37-16-23)13-29(21)45-19-25-4-3-5-27(32(25)35)24-6-7-28-31(12-24)43-9-8-42-28/h3-7,10-13,15-16,38-39H,8-9,17-20H2,1-2H3,(H,40,41)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363232 ((R)-1-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES Cc1cc(CN2CCCC[C@@H]2C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H34ClN3O6/c1-23-13-28(20-40-10-3-2-7-30(40)36(41)42)33(45-21-25-14-24(17-38)18-39-19-25)16-32(23)46-22-27-5-4-6-29(35(27)37)26-8-9-31-34(15-26)44-12-11-43-31/h4-6,8-9,13-16,18-19,30H,2-3,7,10-12,20-22H2,1H3,(H,41,42)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363233 ((R)-2-(4-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]diox...) Show SMILES Cc1cc(CN[C@](C)(CO)C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1Cl)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/c1-21-10-26(17-38-34(2,20-39)33(40)41)30(44-18-23-11-22(14-36)15-37-16-23)13-29(21)45-19-25-4-3-5-27(32(25)35)24-6-7-28-31(12-24)43-9-8-42-28/h3-7,10-13,15-16,38-39H,8-9,17-20H2,1-2H3,(H,40,41)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363235 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H31ClN2O7/c1-21-25(6-3-7-27(21)24-8-9-30-33(14-24)42-11-10-41-30)20-44-32-15-31(43-19-23-5-2-4-22(12-23)16-36)26(13-28(32)35)17-37-29(18-38)34(39)40/h2-9,12-15,29,37-38H,10-11,17-20H2,1H3,(H,39,40)/t29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363236 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CC(O)=O)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H31ClN2O8/c1-21-25(6-3-7-27(21)24-8-9-30-33(14-24)44-11-10-43-30)20-46-32-16-31(45-19-23-5-2-4-22(12-23)17-37)26(13-28(32)36)18-38-29(35(41)42)15-34(39)40/h2-9,12-14,16,29,38H,10-11,15,18-20H2,1H3,(H,39,40)(H,41,42)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363429 ((S)-5-amino-2-((5-chloro-2-((5-cyanopyridin-3-yl)m...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCCN)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H35ClN4O6/c1-22-26(4-2-5-28(22)25-7-8-31-34(14-25)44-11-10-43-31)21-46-33-15-32(45-20-24-12-23(16-38)17-39-18-24)27(13-29(33)36)19-40-30(35(41)42)6-3-9-37/h2,4-5,7-8,12-15,17-18,30,40H,3,6,9-11,19-21,37H2,1H3,(H,41,42)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363430 ((S)-6-amino-2-((5-chloro-2-((5-cyanopyridin-3-yl)m...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCCCN)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H37ClN4O6/c1-23-27(5-4-6-29(23)26-8-9-32-35(15-26)45-12-11-44-32)22-47-34-16-33(46-21-25-13-24(17-39)18-40-19-25)28(14-30(34)37)20-41-31(36(42)43)7-2-3-10-38/h4-6,8-9,13-16,18-19,31,41H,2-3,7,10-12,20-22,38H2,1H3,(H,42,43)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363432 ((S)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES CN(C)CCCC[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C38H41ClN4O6/c1-25-29(7-6-8-31(25)28-10-11-34-37(17-28)47-14-13-46-34)24-49-36-18-35(48-23-27-15-26(19-40)20-41-21-27)30(16-32(36)39)22-42-33(38(44)45)9-4-5-12-43(2)3/h6-8,10-11,15-18,20-21,33,42H,4-5,9,12-14,22-24H2,1-3H3,(H,44,45)/t33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363433 ((2S,5S)-1-(5-chloro-2-((5-cyanopyridin-3-yl)methox...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3C[C@@H](O)CC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H34ClN3O7/c1-22-26(3-2-4-29(22)25-5-8-32-35(13-25)45-10-9-44-32)21-47-34-14-33(46-20-24-11-23(15-38)16-39-17-24)27(12-30(34)37)18-40-19-28(41)6-7-31(40)36(42)43/h2-5,8,11-14,16-17,28,31,41H,6-7,9-10,18-21H2,1H3,(H,42,43)/t28-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363434 ((2S,4R)-1-(5-chloro-2-((5-cyanopyridin-3-yl)methox...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CC[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H34ClN3O7/c1-22-26(3-2-4-29(22)25-5-6-32-35(13-25)45-10-9-44-32)21-47-34-15-33(46-20-24-11-23(16-38)17-39-18-24)27(12-30(34)37)19-40-8-7-28(41)14-31(40)36(42)43/h2-6,11-13,15,17-18,28,31,41H,7-10,14,19-21H2,1H3,(H,42,43)/t28-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363435 ((S)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](Cc3ccccn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C38H33ClN4O6/c1-24-28(5-4-7-31(24)27-8-9-34-37(15-27)47-12-11-46-34)23-49-36-17-35(48-22-26-13-25(18-40)19-41-20-26)29(14-32(36)39)21-43-33(38(44)45)16-30-6-2-3-10-42-30/h2-10,13-15,17,19-20,33,43H,11-12,16,21-23H2,1H3,(H,44,45)/t33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363438 ((S)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCC(O)=O)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H32ClN3O8/c1-21-25(3-2-4-27(21)24-5-7-30-33(13-24)45-10-9-44-30)20-47-32-14-31(46-19-23-11-22(15-37)16-38-17-23)26(12-28(32)36)18-39-29(35(42)43)6-8-34(40)41/h2-5,7,11-14,16-17,29,39H,6,8-10,18-20H2,1H3,(H,40,41)(H,42,43)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363439 (2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-4-((...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNCC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C32H28ClN3O6/c1-20-24(3-2-4-26(20)23-5-6-28-31(11-23)40-8-7-39-28)19-42-30-12-29(25(10-27(30)33)16-36-17-32(37)38)41-18-22-9-21(13-34)14-35-15-22/h2-6,9-12,14-15,36H,7-8,16-19H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363440 (Step b | US9850225, Example 3000) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(CO)C(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H30FN3O7/c1-20-24(3-2-4-26(20)23-5-6-29-32(11-23)42-8-7-41-29)19-44-31-12-30(43-18-22-9-21(13-35)14-36-15-22)25(10-27(31)34)16-37-28(17-38)33(39)40/h2-6,9-12,14-15,28,37-38H,7-8,16-19H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363441 (US9850225, Example 3001) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32FN3O7/c1-21-25(4-3-5-27(21)24-6-7-29-32(12-24)43-9-8-42-29)19-45-31-13-30(44-18-23-10-22(14-36)15-37-16-23)26(11-28(31)35)17-38-34(2,20-39)33(40)41/h3-7,10-13,15-16,38-39H,8-9,17-20H2,1-2H3,(H,40,41)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair

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