Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50032164   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50200841 (CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325211 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.681	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325221 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C25H18BrClF3N7S/c26-16-8-6-15(7-9-16)21-17(12-36-14-31-13-32-36)20(35-37(21)19-5-2-1-4-18(19)27)22-33-34-23(38-22)24(10-3-11-24)25(28,29)30/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.848	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325226 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C29H19BrCl3N7S/c30-19-5-1-17(2-6-19)26-22(14-39-16-34-15-35-39)25(38-40(26)24-10-9-21(32)13-23(24)33)27-36-37-28(41-27)29(11-12-29)18-3-7-20(31)8-4-18/h1-10,13,15-16H,11-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.877	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50200841 (CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325223 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloroph...) Show SMILES Clc1ccc(cc1)-c1c(Cn2cncn2)c(nn1-c1ccccc1Cl)-c1nnc(s1)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H20Cl3N7S/c30-20-9-5-18(6-10-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-4-2-1-3-23(24)32)27-35-36-28(40-27)29(13-14-29)19-7-11-21(31)12-8-19/h1-12,16-17H,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.966	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325227 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H15BrCl2F3N7S/c25-14-3-1-13(2-4-14)20-16(10-36-12-31-11-32-36)19(35-37(20)18-6-5-15(26)9-17(18)27)21-33-34-22(38-21)23(7-8-23)24(28,29)30/h1-6,9,11-12H,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.991	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325222 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H16BrClF3N7S/c25-15-7-5-14(6-8-15)20-16(11-35-13-30-12-31-35)19(34-36(20)18-4-2-1-3-17(18)26)21-32-33-22(37-21)23(9-10-23)24(27,28)29/h1-8,12-13H,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.992	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325228 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C25H18Cl2F3N7S/c26-16-8-6-15(7-9-16)21-17(12-36-14-31-13-32-36)20(35-37(21)19-5-2-1-4-18(19)27)22-33-34-23(38-22)24(10-3-11-24)25(28,29)30/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325229 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloroph...) Show SMILES FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H16Cl2F3N7S/c25-15-7-5-14(6-8-15)20-16(11-35-13-30-12-31-35)19(34-36(20)18-4-2-1-3-17(18)26)21-32-33-22(37-21)23(9-10-23)24(27,28)29/h1-8,12-13H,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325224 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20Cl3N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325230 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES Clc1ccc(cc1)-c1c(Cn2cncn2)c(nn1-c1ccc(Cl)cc1Cl)-c1nnc(s1)C1(CC1)c1ccccc1 Show InChI InChI=1S/C29H20Cl3N7S/c30-20-8-6-18(7-9-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-11-10-21(31)14-23(24)32)27-35-36-28(40-27)29(12-13-29)19-4-2-1-3-5-19/h1-11,14,16-17H,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325231 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloroph...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21Cl2N7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325232 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(c(Cn2cncn2)c1-c1ccc(Br)cc1)-c1nnc(s1)C1(CC1)c1ccccc1 Show InChI InChI=1S/C29H20BrCl2N7S/c30-20-8-6-18(7-9-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-11-10-21(31)14-23(24)32)27-35-36-28(40-27)29(12-13-29)19-4-2-1-3-5-19/h1-11,14,16-17H,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325225 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H15Cl3F3N7S/c25-14-3-1-13(2-4-14)20-16(10-36-12-31-11-32-36)19(35-37(20)18-6-5-15(26)9-17(18)27)21-33-34-22(38-21)23(7-8-23)24(28,29)30/h1-6,9,11-12H,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325233 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES CC1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18Cl3N7S/c1-24(8-9-24)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-2-4-15(25)5-3-14)34(32-20)19-7-6-16(26)10-18(19)27/h2-7,10,12-13H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325214 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES Clc1ccc(cc1)-c1c(Cn2cncn2)c(nn1-c1ccc(Cl)cc1Cl)-c1nnc(s1)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H19Cl4N7S/c30-19-5-1-17(2-6-19)26-22(14-39-16-34-15-35-39)25(38-40(26)24-10-9-21(32)13-23(24)33)27-36-37-28(41-27)29(11-12-29)18-3-7-20(31)8-4-18/h1-10,13,15-16H,11-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325215 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES Cc1ccc(cc1)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H22BrCl2N7S/c1-18-2-6-20(7-3-18)30(12-13-30)29-37-36-28(41-29)26-23(15-39-17-34-16-35-39)27(19-4-8-21(31)9-5-19)40(38-26)25-11-10-22(32)14-24(25)33/h2-11,14,16-17H,12-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325212 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17Cl3F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325216 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18BrCl2N7S/c1-24(8-9-24)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-2-4-15(25)5-3-14)34(32-20)19-7-6-16(26)10-18(19)27/h2-7,10,12-13H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325217 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17BrCl2F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.27	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325218 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)c1ccccc1-n1nc(c(Cn2cncn2)c1-c1ccc(Br)cc1)-c1nnc(s1)C1(CCC1)C(F)(F)F Show InChI InChI=1S/C26H18BrF6N7S/c27-16-8-6-15(7-9-16)21-17(12-39-14-34-13-35-39)20(38-40(21)19-5-2-1-4-18(19)25(28,29)30)22-36-37-23(41-22)24(10-3-11-24)26(31,32)33/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.38	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.53	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325219 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES Cc1ccc(cc1)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H22Cl3N7S/c1-18-2-6-20(7-3-18)30(12-13-30)29-37-36-28(41-29)26-23(15-39-17-34-16-35-39)27(19-4-8-21(31)9-5-19)40(38-26)25-11-10-22(32)14-24(25)33/h2-11,14,16-17H,12-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.74	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50325220 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)c1ccccc1-n1nc(c(Cn2cncn2)c1-c1ccc(Cl)cc1)-c1nnc(s1)C1(CCC1)C(F)(F)F Show InChI InChI=1S/C26H18ClF6N7S/c27-16-8-6-15(7-9-16)21-17(12-39-14-34-13-35-39)20(38-40(21)19-5-2-1-4-18(19)25(28,29)30)22-36-37-23(41-22)24(10-3-11-24)26(31,32)33/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.48	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50200841 (CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50325211 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50325212 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17Cl3F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50325211 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325211 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325212 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17Cl3F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50325212 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17Cl3F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325212 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H17Cl3F3N7S/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50200841 (CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325211 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3	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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 30 mins				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325218 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)c1ccccc1-n1nc(c(Cn2cncn2)c1-c1ccc(Br)cc1)-c1nnc(s1)C1(CCC1)C(F)(F)F Show InChI InChI=1S/C26H18BrF6N7S/c27-16-8-6-15(7-9-16)21-17(12-39-14-34-13-35-39)20(38-40(21)19-5-2-1-4-18(19)25(28,29)30)22-36-37-23(41-22)24(10-3-11-24)26(31,32)33/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.6	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325221 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C25H18BrClF3N7S/c26-16-8-6-15(7-9-16)21-17(12-36-14-31-13-32-36)20(35-37(21)19-5-2-1-4-18(19)27)22-33-34-23(38-22)24(10-3-11-24)25(28,29)30/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73.6	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325220 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloroph...) Show SMILES FC(F)(F)c1ccccc1-n1nc(c(Cn2cncn2)c1-c1ccc(Cl)cc1)-c1nnc(s1)C1(CCC1)C(F)(F)F Show InChI InChI=1S/C26H18ClF6N7S/c27-16-8-6-15(7-9-16)21-17(12-39-14-34-13-35-39)20(38-40(21)19-5-2-1-4-18(19)25(28,29)30)22-36-37-23(41-22)24(10-3-11-24)26(31,32)33/h1-2,4-9,13-14H,3,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76.8	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325222 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H16BrClF3N7S/c25-15-7-5-14(6-8-15)20-16(11-35-13-30-12-31-35)19(34-36(20)18-4-2-1-3-17(18)26)21-32-33-22(37-21)23(9-10-23)24(27,28)29/h1-8,12-13H,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325223 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloroph...) Show SMILES Clc1ccc(cc1)-c1c(Cn2cncn2)c(nn1-c1ccccc1Cl)-c1nnc(s1)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H20Cl3N7S/c30-20-9-5-18(6-10-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-4-2-1-3-23(24)32)27-35-36-28(40-27)29(13-14-29)19-7-11-21(31)12-8-19/h1-12,16-17H,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325213 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H20BrCl2N7S/c1-24(2,3)23-31-30-22(35-23)20-17(11-33-13-28-12-29-33)21(14-4-6-15(25)7-5-14)34(32-20)19-9-8-16(26)10-18(19)27/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>

Jump to: