Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50031719   

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))	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	0.170	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.570	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317868 (4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole ...) Show SMILES CC(C)(C)c1ccc(NCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H21N3/c1-15(2,3)12-4-6-13(7-5-12)17-9-8-14-10-16-11-18-14/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317864 (4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imida...) Show SMILES FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H11F3N2S/c13-12(14,15)9-1-3-11(4-2-9)18-6-5-10-7-16-8-17-10/h1-4,7-8H,5-6H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H4 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	1.10	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 Inhibition of human recombinant histamine H4 receptor expressed in CHO cells				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317867 (4-(2-(3-tert-Butylphenylamino)ethyl)-1H-imidazole ...) Show SMILES CC(C)(C)c1cccc(NCCc2cnc[nH]2)c1 Show InChI InChI=1S/C15H21N3/c1-15(2,3)12-5-4-6-13(9-12)17-8-7-14-10-16-11-18-14/h4-6,9-11,17H,7-8H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317866 (4-(2-(4-Cyclohexylphenylamino)ethyl)-1H-imidazole ...) Show SMILES C(Cc1cnc[nH]1)Nc1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C17H23N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,1-5,10-11H2,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	5.20	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317869 (4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole ...) Show SMILES Cc1ccc(NCCc2cnc[nH]2)cc1C Show InChI InChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317870 (4-(2-(4-Methylphenylamino)ethyl)-1H-imidazole | CH...) Show SMILES Cc1ccc(NCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H15N3/c1-10-2-4-11(5-3-10)14-7-6-12-8-13-9-15-12/h2-5,8-9,14H,6-7H2,1H3,(H,13,15)	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317863 (4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole | C...) Show SMILES COc1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317871 (4-(2-(Phenylamino)ethyl)-1H-imidazole | CHEMBL1096...) Show SMILES C(Cc1cnc[nH]1)Nc1ccccc1 Show InChI InChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Beta-1 adrenergic 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	>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 Inhibition of beta-1 adrenergic receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
D(3) dopamine 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 UniProtKB/SwissProt 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 Inhibition of dopamine D3 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Beta-2 adrenergic 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Inhibition of beta2 adrenergic receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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)	UniProtKB/SwissProt 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 Inhibition of muscarinic M1 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (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	>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 Inhibition of muscarinic M3 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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 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 Inhibition of 5HT1A receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
D(2) dopamine 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	>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 Inhibition of dopamine D2 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (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	>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 Inhibition of 5HT3 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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	>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 Inhibition of 5HT2A receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
D(1A) dopamine 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 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 Inhibition of dopamine D1 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H2 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	>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 Inhibition of histamine H2 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H1 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	>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 Inhibition of histamine H1 receptor				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317872 (4-(2-(Cyclohexylamino)ethyl)-1H-imidazole | CHEMBL...) Show SMILES C(Cc1cnc[nH]1)NC1CCCCC1 Show InChI InChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					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 human CYP2C19 expressed in insect cell microsome after 30 mins by fluorescence assay				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					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 human CYP3A4 expressed in insect cell microsome after 30 mins by fluorescence assay				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					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 human CYP1A2 expressed in insect cell microsome after 15 mins by fluorescence assay				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					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 human CYP2D6 expressed in insect cell microsome after 30 mins by fluorescence assay				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317870 (4-(2-(4-Methylphenylamino)ethyl)-1H-imidazole | CH...) Show SMILES Cc1ccc(NCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H15N3/c1-10-2-4-11(5-3-10)14-7-6-12-8-13-9-15-12/h2-5,8-9,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317869 (4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole ...) Show SMILES Cc1ccc(NCCc2cnc[nH]2)cc1C Show InChI InChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317868 (4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole ...) Show SMILES CC(C)(C)c1ccc(NCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H21N3/c1-15(2,3)12-4-6-13(7-5-12)17-9-8-14-10-16-11-18-14/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317867 (4-(2-(3-tert-Butylphenylamino)ethyl)-1H-imidazole ...) Show SMILES CC(C)(C)c1cccc(NCCc2cnc[nH]2)c1 Show InChI InChI=1S/C15H21N3/c1-15(2,3)12-5-4-6-13(9-12)17-8-7-14-10-16-11-18-14/h4-6,9-11,17H,7-8H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317864 (4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imida...) Show SMILES FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H11F3N2S/c13-12(14,15)9-1-3-11(4-2-9)18-6-5-10-7-16-8-17-10/h1-4,7-8H,5-6H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					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	n/a	n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317872 (4-(2-(Cyclohexylamino)ethyl)-1H-imidazole | CHEMBL...) Show SMILES C(Cc1cnc[nH]1)NC1CCCCC1 Show InChI InChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317863 (4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole | C...) Show SMILES COc1ccc(SCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317871 (4-(2-(Phenylamino)ethyl)-1H-imidazole | CHEMBL1096...) Show SMILES C(Cc1cnc[nH]1)Nc1ccccc1 Show InChI InChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...				J Med Chem 53: 3840-4 (2010) Article DOI: 10.1021/jm901890s BindingDB Entry DOI: 10.7270/Q21Z44KC
					More data for this Ligand-Target Pair