Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50032256   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317865 (2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...) Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22910 (4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine) Show SMILES C(c1cnc[nH]1)c1ccncc1 Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326285 ((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326288 (3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326293 (2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326297 (3-((1H-imidazol-4-yl)methyl)pyridine | 3-(3H-Imida...) Show SMILES C(c1cnc[nH]1)c1cccnc1 Show InChI InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326294 (3-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-3-5-14(6-4-13)24-10-15(16-9-22-11-23-16)12-2-1-7-21-8-12/h1-9,11,15H,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326295 (4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50326285 ((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50326288 (3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326292 (4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1 Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326291 (3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-...) Show SMILES CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1 Show InChI InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326290 (2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethy...) Show SMILES CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1 Show InChI InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50326285 ((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50326296 (2-((1H-imidazol-4-yl)methyl)pyridine | 2-(3H-Imida...) Show SMILES C(c1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C9H9N3/c1-2-4-11-8(3-1)5-9-6-10-7-12-9/h1-4,6-7H,5H2,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50326288 (3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50326288 (3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50326285 ((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50317865 (2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...) Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(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	55	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(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	350	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50317865 (2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...) Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50317865 (2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...) Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)	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	680	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50317865 (2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...) Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326292 (4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1 Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50326292 (4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1 Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)	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	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326292 (4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1 Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326289 (4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...) Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1 Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326286 ((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...) Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1	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	>9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>

Jump to: