Compile Data Set for Download or QSAR

Found 450 hits with Last Name = 'james' and Initial = 'a'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377170 (CHEMBL256570 | US11254667, Compound I-2 | US115422...) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377180 (CHEMBL401633) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13| Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311657 (1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...) Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N |r| Show InChI InChI=1S/C22H14FN7O2/c23-14-3-1-2-13-17(6-7-32-19(13)14)30-20-16(27-22(30)31)10-25-21(28-20)29-11-26-15-5-4-12(9-24)8-18(15)29/h1-5,8,10-11,17H,6-7H2,(H,27,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50588566 (CHEMBL5209294) Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01276 BindingDB Entry DOI: 10.7270/Q2C53QTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377165 (CHEMBL255867) Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1 Show InChI InChI=1S/C20H21N7/c1-2-17(25-19(3-1)24-15-6-9-21-10-7-15)18-12-22-20-5-4-14(13-27(18)20)16-8-11-23-26-16/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492164 (CHEMBL2381561) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CC[C@@H]2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492156 (CHEMBL2397560) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N6O3/c1-4-19-10-18(7-8-33-19)31-23-20-9-15(16-11-26-29(2)13-16)5-6-21(20)34-24(23)22(28-25(31)32)17-12-27-30(3)14-17/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3/t18-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492155 (CHEMBL2397554) Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C23H23N7O3/c1-28-12-15(10-25-28)14-8-18-20-21(33-22(18)24-9-14)19(16-11-26-29(2)13-16)27-23(31)30(20)6-5-17-4-3-7-32-17/h8-13,17H,3-7H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377175 (CHEMBL436653) Show SMILES Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1 Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-14-15(10-12)23(11-20-14)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r| Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492176 (CHEMBL2397567) Show SMILES CN(C)c1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-31(2)21-7-6-16(12-27-21)22-24-23(33(26(34)30-22)9-8-19-5-4-10-35-19)20-11-17(13-28-25(20)36-24)18-14-29-32(3)15-18/h6-7,11-15,19H,4-5,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492175 (CHEMBL2397583) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-27-21-7-6-16(12-28-21)22-24-23(33(26(34)31-22)9-8-19-5-3-4-10-35-19)20-11-17(13-29-25(20)36-24)18-14-30-32(2)15-18/h6-7,11-15,19H,3-5,8-10H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492163 (CHEMBL2397557) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25N7O3/c1-4-17-9-16(7-8-33-17)31-22-21-19(6-5-18(27-21)14-10-25-29(2)12-14)34-23(22)20(28-24(31)32)15-11-26-30(3)13-15/h5-6,10-13,16-17H,4,7-9H2,1-3H3/t16-,17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492154 (CHEMBL2397572) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27N7O3/c1-4-19-10-18(7-8-35-19)33-23-20-9-16(17-13-30-32(3)14-17)12-29-25(20)36-24(23)22(31-26(33)34)15-5-6-21(27-2)28-11-15/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492168 (CHEMBL2397584) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCOCC2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-27-21-4-3-17(12-28-21)22-24-23(33(26(34)31-22)8-5-16-6-9-35-10-7-16)20-11-18(13-29-25(20)36-24)19-14-30-32(2)15-19/h3-4,11-16H,5-10H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377168 (CHEMBL255873) Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50588561 (CHEMBL5193020) Show SMILES ONC(=O)CCCCC\C=C/c1csc(Br)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01276 BindingDB Entry DOI: 10.7270/Q2C53QTB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492153 (CHEMBL2397563) Show SMILES Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C28H27N7O3/c1-16-31-22-12-17(6-7-23(22)34(16)3)24-26-25(35(28(36)32-24)9-8-20-5-4-10-37-20)21-11-18(13-29-27(21)38-26)19-14-30-33(2)15-19/h6-7,11-15,20H,4-5,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492174 (CHEMBL2397586) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCC(C)O2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-15-4-6-19(35-15)8-9-33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-5-7-21(27-2)28-11-16/h5,7,10-15,19H,4,6,8-9H2,1-3H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492169 (CHEMBL2397582) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50211428 (CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...) Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 17: 3463-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.078 BindingDB Entry DOI: 10.7270/Q2959H7W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50211428 (CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...) Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 17: 3463-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.078 BindingDB Entry DOI: 10.7270/Q2959H7W
					More data for this Ligand-Target Pair

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