Compile Data Set for Download or QSAR

Found 912 hits with Last Name = 'scola' and Initial = 'pm'   

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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135349 (CHEMBL341313 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F Show InChI InChI=1S/C18H19Br3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135329 (CHEMBL128100 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C18H19Cl3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135339 (CHEMBL128709 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C19H22Cl2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-11(2)7-13(20)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135340 ((2-Bromo-4,6-dimethyl-phenyl)-{5-[(cyclopropylmeth...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F Show InChI InChI=1S/C20H25BrF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135345 ((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C20H25ClF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135328 (CHEMBL131046 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)nc1C(F)(F)F Show InChI InChI=1S/C19H19Cl2F6N3S/c1-2-5-30(8-10-3-4-10)9-14-16(19(25,26)27)29-17(31-14)28-15-12(20)6-11(7-13(15)21)18(22,23)24/h6-7,10H,2-5,8-9H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135337 (CHEMBL131533 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F Show InChI InChI=1S/C19H22Br2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-13(20)7-11(2)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135334 ((2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethy...) Show SMILES CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C23H31BrF3N3S/c1-5-11-29(13-16-7-8-16)14-20-21(23(25,26)27)28-22(31-20)30(6-2)19-10-9-17(15(3)4)12-18(19)24/h9-10,12,15-16H,5-8,11,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135343 (CHEMBL128713 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F Show InChI InChI=1S/C21H28F3N3S/c1-5-8-27(11-16-6-7-16)12-17-19(21(22,23)24)26-20(28-17)25-18-14(3)9-13(2)10-15(18)4/h9-10,16H,5-8,11-12H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135352 ((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...) Show SMILES CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1c(C)cc(C)cc1Cl Show InChI InChI=1S/C22H29ClF3N3S/c1-5-9-28(12-16-7-8-16)13-18-20(22(24,25)26)27-21(30-18)29(6-2)19-15(4)10-14(3)11-17(19)23/h10-11,16H,5-9,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135338 ((4-Chloro-2,6-dimethyl-phenyl)-{5-[(cyclopropylmet...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F Show InChI InChI=1S/C20H25ClF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-12(2)8-15(21)9-13(17)3/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135336 ((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...) Show SMILES CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(C)c1c(C)cc(C)cc1Cl Show InChI InChI=1S/C21H27ClF3N3S/c1-5-8-28(11-15-6-7-15)12-17-19(21(23,24)25)26-20(29-17)27(4)18-14(3)9-13(2)10-16(18)22/h9-10,15H,5-8,11-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135347 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C18H20Cl3N3OS/c1-3-6-24(9-11-4-5-11)17(25)16-10(2)22-18(26-16)23-15-13(20)7-12(19)8-14(15)21/h7-8,11H,3-6,9H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135341 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES CCCN(CCC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C17H20Cl3N3OS/c1-4-6-23(7-5-2)16(24)15-10(3)21-17(25-15)22-14-12(19)8-11(18)9-13(14)20/h8-9H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135346 (4-Methyl-2-(2,4,6-trimethyl-phenylamino)-thiazole-...) Show SMILES CCCN(CC1CC1)C(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C Show InChI InChI=1S/C21H29N3OS/c1-6-9-24(12-17-7-8-17)20(25)19-16(5)22-21(26-19)23-18-14(3)10-13(2)11-15(18)4/h10-11,17H,6-9,12H2,1-5H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135344 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES CCCCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C17H20Cl3N3OS/c1-4-6-7-23(5-2)16(24)15-10(3)21-17(25-15)22-14-12(19)8-11(18)9-13(14)20/h8-9H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135327 ((2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethy...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2ccc(cc2Br)C(C)C)nc1C(F)(F)F Show InChI InChI=1S/C21H27BrF3N3S/c1-4-9-28(11-14-5-6-14)12-18-19(21(23,24)25)27-20(29-18)26-17-8-7-15(13(2)3)10-16(17)22/h7-8,10,13-14H,4-6,9,11-12H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135333 (CHEMBL128310 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1oc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C18H19Cl3F3N3O/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135351 (CHEMBL338780 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C18H20Cl2F3N3S/c1-2-7-26(9-11-3-4-11)10-15-16(18(21,22)23)25-17(27-15)24-14-6-5-12(19)8-13(14)20/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135350 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES CCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C15H16Cl3N3OS/c1-4-21(5-2)14(22)13-8(3)19-15(23-13)20-12-10(17)6-9(16)7-11(12)18/h6-7H,4-5H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135330 (CHEMBL127783 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F Show InChI InChI=1S/C20H26F3N3O2S/c1-4-9-26(11-13-5-6-13)12-17-18(20(21,22)23)25-19(29-17)24-15-8-7-14(27-2)10-16(15)28-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135331 (4-Ethyl-2-(2,4,6-trichloro-phenylamino)-thiazole-5...) Show SMILES CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1CC Show InChI InChI=1S/C19H22Cl3N3OS/c1-3-7-25(10-11-5-6-11)18(26)17-15(4-2)23-19(27-17)24-16-13(21)8-12(20)9-14(16)22/h8-9,11H,3-7,10H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135348 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES CCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C16H18Cl3N3O2S/c1-4-22(5-6-24-3)15(23)14-9(2)20-16(25-14)21-13-11(18)7-10(17)8-12(13)19/h7-8H,4-6H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135332 (2-(2,4,6-Trichloro-phenylamino)-4-trifluoromethyl-...) Show SMILES CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F Show InChI InChI=1S/C18H17Cl3F3N3OS/c1-2-5-27(8-9-3-4-9)16(28)14-15(18(22,23)24)26-17(29-14)25-13-11(20)6-10(19)7-12(13)21/h6-7,9H,2-5,8H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135342 (CHEMBL340186 | {5-[(Cyclopropylmethyl-propyl-amino...) Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(CC)cccc2CC)nc1C(F)(F)F Show InChI InChI=1S/C22H30F3N3S/c1-4-12-28(13-15-10-11-15)14-18-20(22(23,24)25)27-21(29-18)26-19-16(5-2)8-7-9-17(19)6-3/h7-9,15H,4-6,10-14H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50135335 (4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-...) Show SMILES COCCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C Show InChI InChI=1S/C17H20Cl3N3O3S/c1-10-15(16(24)23(4-6-25-2)5-7-26-3)27-17(21-10)22-14-12(19)8-11(18)9-13(14)20/h8-9H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461540 (CHEMBL4226033) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(O)=O)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H50N6O10S/c1-9-21-18-37(21,33(48)42-54(50,51)24-11-12-24)41-29(44)26-17-23(53-30-25-13-10-22(52-8)16-20(25)14-15-38-30)19-43(26)31(45)27(35(2,3)4)39-34(49)40-28(32(46)47)36(5,6)7/h9-10,13-16,21,23-24,26-28H,1,11-12,17-19H2,2-8H3,(H,41,44)(H,42,48)(H,46,47)(H2,39,40,49)/t21-,23-,26+,27-,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461545 (CHEMBL4226876) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C41H58N6O10S/c1-12-24-21-41(24,36(51)46-58(53,54)27-14-15-27)45-32(48)29-20-26(56-33-28-16-13-25(55-11)19-23(28)17-18-42-33)22-47(29)34(49)30(38(2,3)4)43-37(52)44-31(39(5,6)7)35(50)57-40(8,9)10/h12-13,16-19,24,26-27,29-31H,1,14-15,20-22H2,2-11H3,(H,45,48)(H,46,51)(H2,43,44,52)/t24-,26-,29+,30-,31-,41-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592995 (US11578054, Example 1017) Show SMILES CC(=O)NC1CCN(CCCOc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461549 (CHEMBL4225009) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)NCc3ccccc3)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C44H57N7O9S/c1-9-28-23-44(28,40(55)50-61(57,58)31-16-17-31)49-36(52)33-22-30(60-38-32-18-15-29(59-8)21-27(32)19-20-45-38)25-51(33)39(54)35(43(5,6)7)48-41(56)47-34(42(2,3)4)37(53)46-24-26-13-11-10-12-14-26/h9-15,18-21,28,30-31,33-35H,1,16-17,22-25H2,2-8H3,(H,46,53)(H,49,52)(H,50,55)(H2,47,48,56)/t28-,30-,33+,34-,35-,44-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461552 (CHEMBL4228791) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H52N6O8S/c1-10-23-19-37(23,33(46)42-52(48,49)26-12-13-26)41-30(44)28-18-25(51-31-27-14-11-24(50-9)17-22(27)15-16-38-31)20-43(28)32(45)29(36(6,7)8)40-34(47)39-21(2)35(3,4)5/h10-11,14-17,21,23,25-26,28-29H,1,12-13,18-20H2,2-9H3,(H,41,44)(H,42,46)(H2,39,40,47)/t21-,23-,25-,28+,29-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461537 (CHEMBL4228440) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H51N7O9S/c1-9-21-18-37(21,33(48)43-54(50,51)24-11-12-24)42-30(46)26-17-23(53-31-25-13-10-22(52-8)16-20(25)14-15-39-31)19-44(26)32(47)28(36(5,6)7)41-34(49)40-27(29(38)45)35(2,3)4/h9-10,13-16,21,23-24,26-28H,1,11-12,17-19H2,2-8H3,(H2,38,45)(H,42,46)(H,43,48)(H2,40,41,49)/t21-,23-,26+,27-,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461556 (CHEMBL4225149) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)N3CCN(CC3)c3ncccn3)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C45H60N10O9S/c1-9-28-25-45(28,40(59)52-65(61,62)31-12-13-31)51-36(56)33-24-30(64-37-32-14-11-29(63-8)23-27(32)15-18-46-37)26-55(33)39(58)35(44(5,6)7)50-42(60)49-34(43(2,3)4)38(57)53-19-21-54(22-20-53)41-47-16-10-17-48-41/h9-11,14-18,23,28,30-31,33-35H,1,12-13,19-22,24-26H2,2-8H3,(H,51,56)(H,52,59)(H2,49,50,60)/t28-,30-,33+,34-,35-,45-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461547 (CHEMBL4225051) Show SMILES COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H54N6O9S/c1-10-23-19-38(23,34(47)43-54(49,50)26-12-13-26)42-31(45)28-18-25(53-32-27-14-11-24(52-9)17-22(27)15-16-39-32)20-44(28)33(46)30(37(5,6)7)41-35(48)40-29(21-51-8)36(2,3)4/h10-11,14-17,23,25-26,28-30H,1,12-13,18-21H2,2-9H3,(H,42,45)(H,43,47)(H2,40,41,48)/t23-,25-,28+,29-,30-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461555 (CHEMBL4225768) Show SMILES COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O10S/c1-10-22-19-38(22,34(48)43-55(50,51)25-12-13-25)42-30(45)27-18-24(54-31-26-14-11-23(52-8)17-21(26)15-16-39-31)20-44(27)32(46)28(36(2,3)4)40-35(49)41-29(33(47)53-9)37(5,6)7/h10-11,14-17,22,24-25,27-29H,1,12-13,18-20H2,2-9H3,(H,42,45)(H,43,48)(H2,40,41,49)/t22-,24-,27+,28-,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461554 (CHEMBL4225514) Show SMILES CC[C@H](C)[C@@H](COC)NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C |r| Show InChI InChI=1S/C38H54N6O9S/c1-9-22(3)29(21-51-7)40-36(48)41-31(37(4,5)6)34(46)44-20-26(53-33-28-14-11-25(52-8)17-23(28)15-16-39-33)18-30(44)32(45)42-38(19-24(38)10-2)35(47)43-54(49,50)27-12-13-27/h10-11,14-17,22,24,26-27,29-31H,2,9,12-13,18-21H2,1,3-8H3,(H,42,45)(H,43,47)(H2,40,41,48)/t22-,24+,26+,29+,30-,31+,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461539 (CHEMBL4229110) Show SMILES COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C37H52N6O9S/c1-9-23-18-37(23,34(46)42-53(48,49)26-11-12-26)41-31(44)29-17-25(52-32-27-13-10-24(51-8)16-22(27)14-15-38-32)19-43(29)33(45)30(36(4,5)6)40-35(47)39-28(20-50-7)21(2)3/h9-10,13-16,21,23,25-26,28-30H,1,11-12,17-20H2,2-8H3,(H,41,44)(H,42,46)(H2,39,40,47)/t23-,25-,28-,29+,30-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461551 (CHEMBL4229052) Show SMILES COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C37H50N6O10S/c1-9-22-18-37(22,34(47)42-54(49,50)25-11-12-25)41-30(44)27-17-24(53-31-26-13-10-23(51-7)16-21(26)14-15-38-31)19-43(27)32(45)29(36(4,5)6)40-35(48)39-28(20(2)3)33(46)52-8/h9-10,13-16,20,22,24-25,27-29H,1,11-12,17-19H2,2-8H3,(H,41,44)(H,42,47)(H2,39,40,48)/t22-,24-,27+,28+,29-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	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 N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM477037 (US10882844, Example 2015) Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)C(C)(CO)CO Show InChI InChI=1S/C39H43ClN6O5/c1-26-30(6-5-7-32(26)29-8-9-35-34(16-29)43-38(51-35)46-12-10-44(3)11-13-46)23-50-37-17-36(49-22-28-14-27(18-41)19-42-20-28)31(15-33(37)40)21-45(4)39(2,24-47)25-48/h5-9,14-17,19-20,47-48H,10-13,21-25H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM477031 (US10882844, Example 2009) Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)c1C Show InChI InChI=1S/C38H41ClN6O5/c1-25-29(5-4-6-31(25)28-7-8-34-33(15-28)43-37(50-34)45-11-9-44(3)10-12-45)22-49-36-16-35(48-21-27-13-26(17-40)18-41-19-27)30(14-32(36)39)20-42-38(2,23-46)24-47/h4-8,13-16,18-19,42,46-47H,9-12,20-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM477027 (US10882844, Example 2004) Show SMILES CN[C@H]1C[C@@H](C)N(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN(C)C(C)(CO)CO)cc2Cl)c1C |r| Show InChI InChI=1S/C40H45ClN6O5/c1-25-11-32(43-4)20-47(25)39-45-35-14-29(9-10-36(35)52-39)33-8-6-7-30(26(33)2)22-51-38-15-37(50-21-28-12-27(16-42)17-44-18-28)31(13-34(38)41)19-46(5)40(3,23-48)24-49/h6-10,12-15,17-18,25,32,43,48-49H,11,19-24H2,1-5H3/t25-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM477026 (US10882844, Example 2003) Show SMILES C[C@@H]1C[C@H](N)CN1c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(CO)CO)cc2Cl)c1C |r| Show InChI InChI=1S/C37H39ClN6O5/c1-22-8-29(40)17-44(22)37-43-33-11-26(6-7-34(33)49-37)31-5-3-4-27(23(31)2)21-48-36-12-35(47-20-25-9-24(13-39)14-41-15-25)28(10-32(36)38)16-42-30(18-45)19-46/h3-7,9-12,14-15,22,29-30,42,45-46H,8,16-21,40H2,1-2H3/t22-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM477014 (US10882844, Example 1030) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ncc(nc2c1)C1=CCNCC1 |r,t:52| Show InChI InChI=1S/C41H39ClN6O4/c1-26-31(5-4-6-33(26)30-8-9-35-36(17-30)47-37(22-46-35)29-10-12-44-13-11-29)25-52-40-18-39(51-24-28-15-27(19-43)20-45-21-28)32(16-34(40)42)23-48-14-3-2-7-38(48)41(49)50/h4-6,8-10,15-18,20-22,38,44H,2-3,7,11-14,23-25H2,1H3,(H,49,50)/t38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474566 ((S)-1-(2-(4-carboxycyclohexyl)benzo[d]oxazol-5-yl)...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCC(CC1)C(O)=O |r,wD:25.27,(.65,-2.06,;.65,-3.6,;1.98,-4.37,;3.32,-3.6,;4.65,-4.37,;5.98,-3.6,;5.98,-2.06,;7.32,-1.29,;7.32,.25,;5.98,1.02,;5.98,2.56,;4.65,3.33,;4.65,4.87,;5.98,5.64,;7.37,4.89,;7.32,3.33,;8.7,5.66,;10.03,6.43,;8.65,-2.06,;9.98,-1.29,;11.32,-2.06,;11.32,-3.6,;12.65,-4.37,;13.99,-3.6,;13.99,-2.06,;12.65,-1.29,;12.65,.25,;11.32,1.02,;13.99,1.02,;8.65,-3.6,;7.32,-4.37,;7.32,-5.91,;1.98,-5.91,;.65,-6.68,;-.68,-5.91,;-.68,-4.37,;-2.02,-3.6,;-2.02,-2.06,;-3.35,-1.29,;-4.69,-2.06,;-6.15,-1.59,;-7.06,-2.83,;-6.15,-4.08,;-4.69,-3.6,;-3.35,-4.37,;-8.6,-2.83,;-9.37,-1.5,;-10.91,-1.5,;-11.68,-2.83,;-10.91,-4.17,;-9.37,-4.17,;-13.22,-2.83,;-13.99,-1.5,;-13.99,-4.17,)| Show InChI InChI=1S/C42H41ClN4O7/c1-25-31(5-4-6-33(25)30-12-13-37-35(17-30)46-40(54-37)28-8-10-29(11-9-28)41(48)49)24-53-39-18-38(52-23-27-15-26(19-44)20-45-21-27)32(16-34(39)43)22-47-14-3-2-7-36(47)42(50)51/h4-6,12-13,15-18,20-21,28-29,36H,2-3,7-11,14,22-24H2,1H3,(H,48,49)(H,50,51)/t28?,29?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474561 (US10882844, Example 1020) Show SMILES CN1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)c1C |r| Show InChI InChI=1S/C39H40ClN5O6/c1-24-29(5-4-6-31(24)28-7-8-34-33(15-28)44-37(51-34)27-9-11-45(3)12-10-27)22-50-36-16-35(49-21-26-13-25(17-41)18-42-19-26)30(14-32(36)40)20-43-39(2,23-46)38(47)48/h4-8,13-16,18-19,27,43,46H,9-12,20-23H2,1-3H3,(H,47,48)/t39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474557 (US10882844, Example 1017) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCOCC1 |r| Show InChI InChI=1S/C40H39ClN4O6/c1-25-30(5-4-6-32(25)29-8-9-36-34(17-29)44-39(51-36)28-10-13-48-14-11-28)24-50-38-18-37(49-23-27-15-26(19-42)20-43-21-27)31(16-33(38)41)22-45-12-3-2-7-35(45)40(46)47/h4-6,8-9,15-18,20-21,28,35H,2-3,7,10-14,22-24H2,1H3,(H,46,47)/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474556 (US10882844, Example 1016) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC(O)=O)CC1 |r| Show InChI InChI=1S/C42H42ClN5O7/c1-26-31(5-4-6-33(26)30-8-9-37-35(17-30)46-41(55-37)29-10-13-47(14-11-29)23-40(49)50)25-54-39-18-38(53-24-28-15-27(19-44)20-45-21-28)32(16-34(39)43)22-48-12-3-2-7-36(48)42(51)52/h4-6,8-9,15-18,20-21,29,36H,2-3,7,10-14,22-25H2,1H3,(H,49,50)(H,51,52)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474547 (US10882844, Example 1012) Show SMILES CCN(CC)C1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C |r,wD:47.52,(-13.22,-.12,;-13.99,-1.45,;-13.22,-2.78,;-13.99,-4.12,;-13.22,-5.45,;-11.68,-2.78,;-10.91,-1.45,;-9.37,-1.45,;-8.6,-2.78,;-9.37,-4.12,;-10.91,-4.12,;-7.06,-2.78,;-6.15,-4.03,;-4.69,-3.55,;-3.35,-4.32,;-2.02,-3.55,;-2.02,-2.01,;-3.35,-1.24,;-4.69,-2.01,;-6.15,-1.54,;-.68,-4.32,;-.68,-5.86,;.65,-6.63,;1.98,-5.86,;1.98,-4.32,;3.32,-3.55,;4.65,-4.32,;5.98,-3.55,;5.98,-2.01,;7.32,-1.24,;7.32,.3,;5.98,1.07,;5.98,2.61,;4.65,3.38,;4.65,4.92,;5.98,5.69,;7.39,5,;7.32,3.38,;8.72,5.79,;10.04,6.58,;8.65,-2.01,;9.98,-1.24,;11.32,-2.01,;11.32,-3.55,;12.65,-4.32,;13.99,-3.55,;13.99,-2.01,;12.65,-1.24,;12.65,.3,;11.32,1.07,;13.99,1.07,;8.65,-3.55,;7.32,-4.32,;7.32,-5.86,;.65,-3.55,;.65,-2.01,)| Show InChI InChI=1S/C45H50ClN5O5/c1-4-50(5-2)36-15-12-32(13-16-36)44-49-39-21-33(14-17-41(39)56-44)37-10-8-9-34(29(37)3)28-55-43-22-42(54-27-31-19-30(23-47)24-48-25-31)35(20-38(43)46)26-51-18-7-6-11-40(51)45(52)53/h8-10,14,17,19-22,24-25,32,36,40H,4-7,11-13,15-16,18,26-28H2,1-3H3,(H,52,53)/t32?,36?,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 912 total )  |  Next  |  Last  >>

Jump to: