Compile Data Set for Download or QSAR

Found 378 hits Enz. Inhib. hit(s) with all data for entry = 2376   

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 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
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
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
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363241 ((2R,3R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-...) Show SMILES C[C@@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O7/c1-21-26(7-4-8-28(21)25-9-10-30-33(15-25)43-12-11-42-30)20-45-32-16-31(44-19-24-6-3-5-23(13-24)17-37)27(14-29(32)36)18-38-34(22(2)39)35(40)41/h3-10,13-16,22,34,38-39H,11-12,18-20H2,1-2H3,(H,40,41)/t22-,34-/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))	BDBM363242 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(Cc3c[nH]cn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI	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))	BDBM363244 (1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihy...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C36H33ClN2O6/c1-23-27(7-3-8-29(23)26-10-11-32-35(17-26)43-14-13-42-32)22-45-34-18-33(44-21-25-6-2-5-24(15-25)19-38)28(16-30(34)37)20-39-12-4-9-31(39)36(40)41/h2-3,5-8,10-11,15-18,31H,4,9,12-14,20-22H2,1H3,(H,40,41)	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))	BDBM363248 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES C[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C34H31ClN2O6/c1-21-26(7-4-8-28(21)25-9-10-30-33(15-25)41-12-11-40-30)20-43-32-16-31(42-19-24-6-3-5-23(13-24)17-36)27(14-29(32)35)18-37-22(2)34(38)39/h3-10,13-16,22,37H,11-12,18-20H2,1-2H3,(H,38,39)/t22-/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))	BDBM363249 (3-((4-chloro-5-((3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H31ClN2O5/c1-22-26(6-3-7-28(22)25-8-9-30-33(16-25)39-13-12-38-30)21-41-32-17-31(27(15-29(32)34)19-36-10-11-37)40-20-24-5-2-4-23(14-24)18-35/h2-9,14-17,36-37H,10-13,19-21H2,1H3	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))	BDBM363251 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES CN(C)CC(NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O Show InChI InChI=1S/C36H36ClN3O6/c1-23-27(8-5-9-29(23)26-10-11-32-35(16-26)44-13-12-43-32)22-46-34-17-33(45-21-25-7-4-6-24(14-25)18-38)28(15-30(34)37)19-39-31(36(41)42)20-40(2)3/h4-11,14-17,31,39H,12-13,19-22H2,1-3H3,(H,41,42)	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))	BDBM363252 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES CN(C)CCCC[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C39H42ClN3O6/c1-26-30(10-7-11-32(26)29-13-14-35-38(20-29)47-17-16-46-35)25-49-37-21-36(48-24-28-9-6-8-27(18-28)22-41)31(19-33(37)40)23-42-34(39(44)45)12-4-5-15-43(2)3/h6-11,13-14,18-21,34,42H,4-5,12,15-17,23-25H2,1-3H3,(H,44,45)/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))	BDBM363253 ((2S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,...) Show SMILES C[S+]([O-])CC[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C36H35ClN2O7S/c1-23-27(7-4-8-29(23)26-9-10-32-35(17-26)44-13-12-43-32)22-46-34-18-33(45-21-25-6-3-5-24(15-25)19-38)28(16-30(34)37)20-39-31(36(40)41)11-14-47(2)42/h3-10,15-18,31,39H,11-14,20-22H2,1-2H3,(H,40,41)/t31-,47?/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))	BDBM363255 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](Cc3cn(C)cn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C38H35ClN4O6/c1-24-28(7-4-8-31(24)27-9-10-34-37(15-27)47-12-11-46-34)22-49-36-17-35(48-21-26-6-3-5-25(13-26)18-40)29(14-32(36)39)19-41-33(38(44)45)16-30-20-43(2)23-42-30/h3-10,13-15,17,20,23,33,41H,11-12,16,19,21-22H2,1-2H3,(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))	BDBM363256 (1-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3(CC3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H31ClN2O6/c1-22-26(6-3-7-28(22)25-8-9-30-33(16-25)42-13-12-41-30)21-44-32-17-31(43-20-24-5-2-4-23(14-24)18-37)27(15-29(32)36)19-38-35(10-11-35)34(39)40/h2-9,14-17,38H,10-13,19-21H2,1H3,(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))	BDBM363261 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(CCS(C)(=O)=O)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C36H35ClN2O8S/c1-23-27(7-4-8-29(23)26-9-10-32-35(17-26)45-13-12-44-32)22-47-34-18-33(46-21-25-6-3-5-24(15-25)19-38)28(16-30(34)37)20-39-31(36(40)41)11-14-48(2,42)43/h3-10,15-18,31,39H,11-14,20-22H2,1-2H3,(H,40,41)	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))	BDBM363262 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(7-4-8-28(22)25-9-10-31-34(15-25)43-12-11-42-31)21-45-33-16-32(44-20-24-6-3-5-23(13-24)17-37)27(14-29(33)36)18-38(2)30(19-39)35(40)41/h3-10,13-16,30,39H,11-12,18-21H2,1-2H3,(H,40,41)/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))	BDBM363263 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES COCC(NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(7-4-8-28(22)25-9-10-31-34(15-25)43-12-11-42-31)20-45-33-16-32(44-19-24-6-3-5-23(13-24)17-37)27(14-29(33)36)18-38-30(21-41-2)35(39)40/h3-10,13-16,30,38H,11-12,18-21H2,1-2H3,(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))	BDBM363266 ((S)-3-(1-benzyl-1H-imidazol-4-yl)-2-((5-chloro-2-(...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](Cc3cn(Cc4ccccc4)cn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C44H39ClN4O6/c1-29-34(11-6-12-37(29)33-13-14-40-43(19-33)53-16-15-52-40)27-55-42-21-41(54-26-32-10-5-9-31(17-32)22-46)35(18-38(42)45)23-47-39(44(50)51)20-36-25-49(28-48-36)24-30-7-3-2-4-8-30/h2-14,17-19,21,25,28,39,47H,15-16,20,23-24,26-27H2,1H3,(H,50,51)/t39-/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))	BDBM363268 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES CC(N(C)Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O Show InChI InChI=1S/C35H33ClN2O6/c1-22-27(8-5-9-29(22)26-10-11-31-34(16-26)42-13-12-41-31)21-44-33-17-32(43-20-25-7-4-6-24(14-25)18-37)28(15-30(33)36)19-38(3)23(2)35(39)40/h4-11,14-17,23H,12-13,19-21H2,1-3H3,(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))	BDBM363269 ((2S,3S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-...) Show SMILES C[C@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O7/c1-21-26(7-4-8-28(21)25-9-10-30-33(15-25)43-12-11-42-30)20-45-32-16-31(44-19-24-6-3-5-23(13-24)17-37)27(14-29(32)36)18-38-34(22(2)39)35(40)41/h3-10,13-16,22,34,38-39H,11-12,18-20H2,1-2H3,(H,40,41)/t22-,34-/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))	BDBM363270 ((2S,3R)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC[C@H]([C@H]3C(O)=O)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C38H35ClN2O8/c1-23-27(7-3-8-29(23)26-10-11-32-35(17-26)47-14-13-46-32)22-49-34-18-33(48-21-25-6-2-5-24(15-25)19-40)28(16-31(34)39)20-41-12-4-9-30(37(42)43)36(41)38(44)45/h2-3,5-8,10-11,15-18,30,36H,4,9,12-14,20-22H2,1H3,(H,42,43)(H,44,45)/t30-,36+/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))	BDBM363271 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(Cc3c[nH]cn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI	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))	BDBM363274 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES CC[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O6/c1-3-30(35(39)40)38-19-27-15-29(36)33(17-32(27)43-20-24-7-4-6-23(14-24)18-37)44-21-26-8-5-9-28(22(26)2)25-10-11-31-34(16-25)42-13-12-41-31/h4-11,14-17,30,38H,3,12-13,19-21H2,1-2H3,(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))	BDBM363276 ((2R,3S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-...) Show SMILES C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O7/c1-21-26(7-4-8-28(21)25-9-10-30-33(15-25)43-12-11-42-30)20-45-32-16-31(44-19-24-6-3-5-23(13-24)17-37)27(14-29(32)36)18-38-34(22(2)39)35(40)41/h3-10,13-16,22,34,38-39H,11-12,18-20H2,1-2H3,(H,40,41)/t22-,34+/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))	BDBM363277 ((2S,4S)-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-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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))	BDBM363279 ((R)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H35ClN2O6/c1-24-28(8-5-9-30(24)27-11-12-33-36(18-27)44-15-14-43-33)23-46-35-19-34(45-22-26-7-4-6-25(16-26)20-39)29(17-31(35)38)21-40-13-3-2-10-32(40)37(41)42/h4-9,11-12,16-19,32H,2-3,10,13-15,21-23H2,1H3,(H,41,42)/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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))	BDBM363280 ((2R,4S)-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+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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))	BDBM363282 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES CC[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H33ClN2O6/c1-3-30(35(39)40)38-19-27-15-29(36)33(17-32(27)43-20-24-7-4-6-23(14-24)18-37)44-21-26-8-5-9-28(22(26)2)25-10-11-31-34(16-25)42-13-12-41-31/h4-11,14-17,30,38H,3,12-13,19-21H2,1-2H3,(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))	BDBM363284 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C36H33ClN2O8/c1-22-26(7-4-8-28(22)25-9-10-31-34(15-25)45-12-11-44-31)21-47-33-17-32(46-20-24-6-3-5-23(13-24)18-38)27(14-29(33)37)19-39(2)30(36(42)43)16-35(40)41/h3-10,13-15,17,30H,11-12,16,19-21H2,1-2H3,(H,40,41)(H,42,43)/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))	BDBM363285 ((2S,3R)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](O)[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-28(22)25-8-9-31-34(16-25)44-13-12-43-31)21-46-33-17-32(45-20-24-5-2-4-23(14-24)18-38)27(15-29(33)37)19-39-11-10-30(40)35(39)36(41)42/h2-9,14-17,30,35,40H,10-13,19-21H2,1H3,(H,41,42)/t30-,35+/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))	BDBM363287 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](Cc3cscn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H32ClN3O6S/c1-23-27(6-3-7-30(23)26-8-9-33-36(14-26)45-11-10-44-33)20-47-35-16-34(46-19-25-5-2-4-24(12-25)17-39)28(13-31(35)38)18-40-32(37(42)43)15-29-21-48-22-41-29/h2-9,12-14,16,21-22,32,40H,10-11,15,18-20H2,1H3,(H,42,43)/t32-/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))	BDBM363289 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](Cc3cscn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H32ClN3O6S/c1-23-27(6-3-7-30(23)26-8-9-33-36(14-26)45-11-10-44-33)20-47-35-16-34(46-19-25-5-2-4-24(12-25)17-39)28(13-31(35)38)18-40-32(37(42)43)15-29-21-48-22-41-29/h2-9,12-14,16,21-22,32,40H,10-11,15,18-20H2,1H3,(H,42,43)/t32-/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))	BDBM363292 (3-((4-chloro-5-((3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCC(O)CN3CCOCC3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C38H40ClN3O6/c1-26-30(6-3-7-33(26)29-8-9-35-38(18-29)46-15-14-45-35)25-48-37-19-36(47-24-28-5-2-4-27(16-28)20-40)31(17-34(37)39)21-41-22-32(43)23-42-10-12-44-13-11-42/h2-9,16-19,32,41,43H,10-15,21-25H2,1H3	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))	BDBM363294 (2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dih...) Show SMILES CC(C)C(CO)(NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(O)=O Show InChI InChI=1S/C37H37ClN2O7/c1-23(2)37(22-41,36(42)43)40-19-29-15-31(38)34(17-33(29)46-20-26-7-4-6-25(14-26)18-39)47-21-28-8-5-9-30(24(28)3)27-10-11-32-35(16-27)45-13-12-44-32/h4-11,14-17,23,40-41H,12-13,19-22H2,1-3H3,(H,42,43)	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))	BDBM363299 ((2S,3S)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](O)[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-28(22)25-8-9-31-34(16-25)44-13-12-43-31)21-46-33-17-32(45-20-24-5-2-4-23(14-24)18-38)27(15-29(33)37)19-39-11-10-30(40)35(39)36(41)42/h2-9,14-17,30,35,40H,10-13,19-21H2,1H3,(H,41,42)/t30-,35-/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))	BDBM363301 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](Cc3ccccn3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C39H34ClN3O6/c1-25-29(8-5-10-32(25)28-11-12-35-38(18-28)47-15-14-46-35)24-49-37-20-36(48-23-27-7-4-6-26(16-27)21-41)30(17-33(37)40)22-43-34(39(44)45)19-31-9-2-3-13-42-31/h2-13,16-18,20,34,43H,14-15,19,22-24H2,1H3,(H,44,45)/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))	BDBM363303 (3-((4-chloro-5-((3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES CN1CCN(CC(C)(C)NCc2cc(Cl)c(OCc3cccc(c3C)-c3ccc4OCCOc4c3)cc2OCc2cccc(c2)C#N)CC1 Show InChI InChI=1S/C40H45ClN4O4/c1-28-32(9-6-10-34(28)31-11-12-36-39(21-31)47-18-17-46-36)26-49-38-22-37(48-25-30-8-5-7-29(19-30)23-42)33(20-35(38)41)24-43-40(2,3)27-45-15-13-44(4)14-16-45/h5-12,19-22,43H,13-18,24-27H2,1-4H3	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))	BDBM363305 (3-((4-chloro-5-((3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCC(O)CN3CCCC3=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C38H38ClN3O6/c1-25-29(7-3-8-32(25)28-10-11-34-37(17-28)46-14-13-45-34)24-48-36-18-35(47-23-27-6-2-5-26(15-27)19-40)30(16-33(36)39)20-41-21-31(43)22-42-12-4-9-38(42)44/h2-3,5-8,10-11,15-18,31,41,43H,4,9,12-14,20-24H2,1H3	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))	BDBM363310 (3-((2-((((1H-tetrazol-5-yl)methyl)amino)methyl)-4-...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCc3nnn[nH]3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H29ClN6O4/c1-21-25(6-3-7-27(21)24-8-9-29-32(14-24)42-11-10-41-29)20-44-31-15-30(43-19-23-5-2-4-22(12-23)16-35)26(13-28(31)34)17-36-18-33-37-39-40-38-33/h2-9,12-15,36H,10-11,17-20H2,1H3,(H,37,38,39,40)	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))	BDBM363311 ((S)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H35ClN2O6/c1-24-28(8-5-9-30(24)27-11-12-33-36(18-27)44-15-14-43-33)23-46-35-19-34(45-22-26-7-4-6-25(16-26)20-39)29(17-31(35)38)21-40-13-3-2-10-32(40)37(41)42/h4-9,11-12,16-19,32H,2-3,10,13-15,21-23H2,1H3,(H,41,42)/t32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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))	BDBM363322 ((R)-2-((5-chloro-4-((2-cyano-3-(2,3-dihydrobenzo[b...) Show SMILES C[C@](CO)(NCc1cc(Cl)c(OCc2cccc(-c3ccc4OCCOc4c3)c2C#N)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C35H30ClN3O7/c1-35(21-40,34(41)42)39-18-26-13-29(36)32(15-31(26)45-19-23-5-2-4-22(12-23)16-37)46-20-25-6-3-7-27(28(25)17-38)24-8-9-30-33(14-24)44-11-10-43-30/h2-9,12-15,39-40H,10-11,18-21H2,1H3,(H,41,42)/t35-/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))	BDBM363323 ((R)-2-((5-chloro-4-((2-cyano-3-(2,3-dihydrobenzo[b...) Show SMILES OC[C@@H](NCc1cc(Cl)c(OCc2cccc(-c3ccc4OCCOc4c3)c2C#N)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C34H28ClN3O7/c35-28-12-25(17-38-29(18-39)34(40)41)31(44-19-22-4-1-3-21(11-22)15-36)14-32(28)45-20-24-5-2-6-26(27(24)16-37)23-7-8-30-33(13-23)43-10-9-42-30/h1-8,11-14,29,38-39H,9-10,17-20H2,(H,40,41)/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))	BDBM363325 ((S)-1-(5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-4...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(7-4-8-28(22)25-9-10-30-33(15-25)43-12-11-42-30)20-45-32-16-31(44-19-24-6-3-5-23(13-24)17-37)27(14-29(32)36)18-38-35(2,21-39)34(40)41/h3-10,13-16,38-39H,11-12,18-21H2,1-2H3,(H,40,41)/t35-/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))	BDBM363326 ((S)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(7-4-8-28(22)25-9-10-30-33(15-25)43-12-11-42-30)20-45-32-16-31(44-19-24-6-3-5-23(13-24)17-37)27(14-29(32)36)18-38-35(2,21-39)34(40)41/h3-10,13-16,38-39H,11-12,18-21H2,1-2H3,(H,40,41)/t35-/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))	BDBM363327 ((S)-4-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC[C@@H](O)CC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-31-34(14-25)43-11-10-42-31)21-45-33-16-32(44-20-24-5-2-4-23(12-24)17-37)27(13-30(33)36)18-38-19-28(39)15-35(40)41/h2-9,12-14,16,28,38-39H,10-11,15,18-21H2,1H3,(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))	BDBM363328 (N-(2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-...) Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N Show InChI InChI=1S/C35H34ClN3O5/c1-23-28(7-4-8-30(23)27-9-10-32-35(17-27)42-14-13-41-32)22-44-34-18-33(43-21-26-6-3-5-25(15-26)19-37)29(16-31(34)36)20-38-11-12-39-24(2)40/h3-10,15-18,38H,11-14,20-22H2,1-2H3,(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

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