Compile Data Set for Download or QSAR

Found 1325 hits with Last Name = 'ruediger' and Initial = 'eh'   

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
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364891 (US9862730, Example 349) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(Cl)c4)c3)cc(OC)cc2o1 Show InChI InChI=1S/C28H22ClN3O5S/c1-33-21-11-24(36-16-18-6-4-8-20(10-18)35-15-17-5-3-7-19(29)9-17)22-13-26(37-25(22)12-21)23-14-32-27(30-23)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	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 against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364941 (US9862730, Example 399) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4csc(C)n4)c3)cc(OC)cc2o1 Show InChI InChI=1S/C26H22N4O5S2/c1-15-27-17(14-36-15)13-33-18-6-4-5-16(7-18)12-34-22-8-19(31-2)9-23-20(22)10-24(35-23)21-11-30-25(28-21)37-26(29-30)32-3/h4-11,14H,12-13H2,1-3H3	UniProtKB/SwissProt antibodypedia 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
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364858 (US9862730, Example 314) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(F)c4F)c3)cc(OC)cc2o1 Show InChI InChI=1S/C28H21F2N3O5S/c1-34-19-10-23(20-12-25(38-24(20)11-19)22-13-33-27(31-22)39-28(32-33)35-2)37-14-16-5-3-7-18(9-16)36-15-17-6-4-8-21(29)26(17)30/h3-13H,14-15H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364931 (US9862730, Example 389) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(OC)c(OC)c4)c3)cc(OC)cc2o1 Show InChI InChI=1S/C30H27N3O7S/c1-34-21-12-25(22-14-27(40-26(22)13-21)23-15-33-29(31-23)41-30(32-33)37-4)39-17-18-6-5-7-20(10-18)38-16-19-8-9-24(35-2)28(11-19)36-3/h5-15H,16-17H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364892 (US9862730, Example 350) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(F)cc(OCc4ccccc4)c3)cc(OC)cc2o1 Show InChI InChI=1S/C28H22FN3O5S/c1-33-20-11-24(36-16-18-8-19(29)10-21(9-18)35-15-17-6-4-3-5-7-17)22-13-26(37-25(22)12-20)23-14-32-27(30-23)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364945 (US9862730, Example 403) Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2nc(oc2c1)-c1cn2nc(SC)sc2n1 Show InChI InChI=1S/C27H22N4O4S2/c1-32-20-12-22(34-16-18-9-6-10-19(11-18)33-15-17-7-4-3-5-8-17)24-23(13-20)35-25(29-24)21-14-31-26(28-21)37-27(30-31)36-2/h3-14H,15-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364882 ((R)-6-(4-((2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy)...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC[C@@H]3COC(C)(C)O3)cc(OC)cc2o1 |r| Show InChI InChI=1S/C20H21N3O6S/c1-20(2)27-10-12(29-20)9-26-15-5-11(24-3)6-16-13(15)7-17(28-16)14-8-23-18(21-14)30-19(22-23)25-4/h5-8,12H,9-10H2,1-4H3/t12-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.876	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 against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176047 (US10047103, 80 | US9688695, 80) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(Cl)nc3)cc(OC)cc2o1 Show InChI InChI=1S/C23H16ClN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176041 (US10047103, 74 | US9688695, 74) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(C)nc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H19N5O4S2/c1-13-4-5-14(9-25-13)22-26-15(12-34-22)11-32-19-6-16(30-2)7-20-17(19)8-21(33-20)18-10-29-23(27-18)35-24(28-29)31-3/h4-10,12H,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364887 (US9862730, Example 345) Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(SC)sc2n1 Show InChI InChI=1S/C28H23N3O4S2/c1-32-21-12-24(34-17-19-9-6-10-20(11-19)33-16-18-7-4-3-5-8-18)22-14-26(35-25(22)13-21)23-15-31-27(29-23)37-28(30-31)36-2/h3-15H,16-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364615 (US9862730, Example 73) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cc(OC)cc2o1 Show InChI InChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176255 (US10047103, 288 | US9688695, 288) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1 Show InChI InChI=1S/C28H22N6O5S2/c1-33(9-8-29)26(35)17-6-4-16(5-7-17)25-30-18(15-40-25)14-38-22-10-19(36-2)11-23-20(22)12-24(39-23)21-13-34-27(31-21)41-28(32-34)37-3/h4-7,10-13,15H,9,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364957 (6-(4-((3-(Benzyloxy)benzyl)oxy)-6-(difluoromethoxy...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC(F)F)cc2o1 Show InChI InChI=1S/C28H21F2N3O5S/c1-34-28-32-33-14-22(31-27(33)39-28)25-13-21-23(11-20(37-26(29)30)12-24(21)38-25)36-16-18-8-5-9-19(10-18)35-15-17-6-3-2-4-7-17/h2-14,26H,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	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 against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364922 (US9862730, Example 380) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(OC)c(OC)c(OC)c4)c3)cc(OC)cc2o1 Show InChI InChI=1S/C31H29N3O8S/c1-35-21-12-24(22-14-26(42-25(22)13-21)23-15-34-30(32-23)43-31(33-34)39-5)41-16-18-7-6-8-20(9-18)40-17-19-10-27(36-2)29(38-4)28(11-19)37-3/h6-15H,16-17H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364886 (US9862730, Example 344) Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(Br)sc2n1 Show InChI InChI=1S/C27H20BrN3O4S/c1-32-20-11-23(34-16-18-8-5-9-19(10-18)33-15-17-6-3-2-4-7-17)21-13-25(35-24(21)12-20)22-14-31-27(29-22)36-26(28)30-31/h2-14H,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364949 (US9862730, Example 407) Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F |r| Show InChI InChI=1S/C29H24FN3O4S/c1-18(30)28-32-33-15-24(31-29(33)38-28)27-14-23-25(12-22(34-2)13-26(23)37-27)36-17-20-9-6-10-21(11-20)35-16-19-7-4-3-5-8-19/h3-15,18H,16-17H2,1-2H3/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176015 (US10047103, 48 | US9688695, 48) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1 Show InChI InChI=1S/C29H24N6O5S2/c1-16-22(31-26(41-16)17-5-7-18(8-6-17)27(36)34(2)10-9-30)15-39-23-11-19(37-3)12-24-20(23)13-25(40-24)21-14-35-28(32-21)42-29(33-35)38-4/h5-8,11-14H,10,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364772 (US9862730, Example 229) Show SMILES COc1cc(OC)c2cc(oc2c1)-c1cn2nc(SC)sc2n1 Show InChI InChI=1S/C15H13N3O3S2/c1-19-8-4-11(20-2)9-6-13(21-12(9)5-8)10-7-18-14(16-10)23-15(17-18)22-3/h4-7H,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM364853 (US9862730, Example 309) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4OC)c3)cc(OC)cc2o1 Show InChI InChI=1S/C29H25N3O6S/c1-33-21-12-25(22-14-27(38-26(22)13-21)23-15-32-28(30-23)39-29(31-32)35-3)37-16-18-7-6-9-20(11-18)36-17-19-8-4-5-10-24(19)34-2/h4-15H,16-17H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Houston					Assay Description The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...				J Med Chem 48: 6661-70 (2005) BindingDB Entry DOI: 10.7270/Q2X92DKF
					More data for this Ligand-Target Pair

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