Compile Data Set for Download or QSAR

Found 1351 hits with Last Name = 'chupak' and Initial = 'ls'   

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
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM50048620 (CHEMBL3319620) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of ABHD6 (unknown origin)				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Diacylglycerol kinase zeta (Homo sapiens)	BDBM644197 (US11866430, Example 120) Show SMILES Oc1cc(F)ccc1[C@H](N1CCN(CC1)c1c([N+]([O-])=O)c(=O)n(CC#C)c2ccc(nc12)C#N)c1ccc(F)cc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol kinase zeta (Homo sapiens)	BDBM644200 (US11866430, Example 123) Show SMILES COc1cc(F)ccc1C(N1CCN(CC1)c1c([N+]([O-])=O)c(=O)n(C)c2ccc(nc12)C#N)c1ccc(F)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104526 (3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148158 (CHEMBL3764017) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H29Cl2NO5S/c1-28(2)12-9-20-16-25(7-8-26(20)37-28)38(35,36)32(18-27(33)34)29(10-4-11-29)22-6-3-5-19(13-22)21-14-23(30)17-24(31)15-21/h3,5-8,13-17H,4,9-12,18H2,1-2H3,(H,33,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104531 (3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...) Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148192 (CHEMBL3765578) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H31Cl2NO5S/c1-29(2)13-10-21-17-26(8-9-27(21)38-29)39(36,37)33(19-28(34)35)30(11-3-4-12-30)23-7-5-6-20(14-23)22-15-24(31)18-25(32)16-22/h5-9,14-18H,3-4,10-13,19H2,1-2H3,(H,34,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104531 (3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...) Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAGLalpha expressed in African green monkey COS cells using sn-1-stearoyl-2-[14C]-arachidonoyl-glycerol as substrate ...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104529 ((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					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
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148193 (CHEMBL3765716) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H25Cl2NO5S/c1-26(2)10-9-19-13-23(7-8-24(19)34-26)35(32,33)29(16-25(30)31)15-17-3-5-18(6-4-17)20-11-21(27)14-22(28)12-20/h3-8,11-14H,9-10,15-16H2,1-2H3,(H,30,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148188 (CHEMBL3763826) Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H25Cl2NO5S/c1-26(2)9-8-19-13-23(6-7-24(19)34-26)35(32,33)29(16-25(30)31)15-17-4-3-5-18(10-17)20-11-21(27)14-22(28)12-20/h3-7,10-14H,8-9,15-16H2,1-2H3,(H,30,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104530 (3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148184 (CHEMBL3763853) Show SMILES OC(=O)CN(Cc1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C22H17Cl2F2NO5S/c23-19-6-2-5-18(21(19)24)15-4-1-3-14(11-15)12-27(13-20(28)29)33(30,31)17-9-7-16(8-10-17)32-22(25)26/h1-11,22H,12-13H2,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Diacylglycerol lipase-alpha (Homo sapiens (Human))	BDBM50148154 (CHEMBL3763831) Show SMILES OC(=O)CN(C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20Cl3NO4S/c25-19-5-7-22(8-6-19)33(31,32)28(15-23(29)30)24(9-2-10-24)18-4-1-3-16(11-18)17-12-20(26)14-21(27)13-17/h1,3-8,11-14H,2,9-10,15H2,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...				Bioorg Med Chem 24: 1455-68 (2016) Article DOI: 10.1016/j.bmc.2016.02.006 BindingDB Entry DOI: 10.7270/Q2RJ4MBD
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM644393 (US11866430, Example 387) Show SMILES C[C@H](N1CCN(CC1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12)c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104529 ((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					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))	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
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363329 ((R)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/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
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363330 ((R)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C33H30ClN3O7/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)/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))	BDBM363332 (N-(2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-4...) Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cncc(c1)C#N Show InChI InChI=1S/C34H33ClN4O5/c1-22-27(4-3-5-29(22)26-6-7-31-34(14-26)42-11-10-41-31)21-44-33-15-32(43-20-25-12-24(16-36)17-38-18-25)28(13-30(33)35)19-37-8-9-39-23(2)40/h3-7,12-15,17-18,37H,8-11,19-21H2,1-2H3,(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))	BDBM363333 ((S)-2-(5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-4...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/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-/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))	BDBM363334 ((S)-1-(5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-4...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H34ClN3O6/c1-23-27(5-4-6-29(23)26-8-9-32-35(15-26)44-12-11-43-32)22-46-34-16-33(45-21-25-13-24(17-38)18-39-19-25)28(14-30(34)37)20-40-10-3-2-7-31(40)36(41)42/h4-6,8-9,13-16,18-19,31H,2-3,7,10-12,20-22H2,1H3,(H,41,42)/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))	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

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