Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50041017   

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 (Rattus norvegicus (rat))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22915 (3-(1H-imidazol-4-yl)propylphenylmethyl ether | 5-[...) Show SMILES C(COCc1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403581 (CHEMBL291369) Show SMILES C(COCc1cccc2ccccc12)Cc1cnc[nH]1 Show InChI InChI=1S/C17H18N2O/c1-2-9-17-14(5-1)6-3-7-15(17)12-20-10-4-8-16-11-18-13-19-16/h1-3,5-7,9,11,13H,4,8,10,12H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403577 (CHEMBL443322) Show SMILES Fc1ccc(cc1)C(OCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C19H19FN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403575 (CHEMBL59679) Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403578 (CHEMBL60342) Show SMILES Fc1ccc(cc1)C(OCCCc1cnc[nH]1)c1ccc(F)cc1 Show InChI InChI=1S/C19H18F2N2O/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18/h3-10,12-13,19H,1-2,11H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403580 (CHEMBL62244) Show SMILES Clc1ccc(cc1)C(OCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C19H19ClN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403576 (CHEMBL59851) Show SMILES Brc1ccc(cc1)C(OCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C19H19BrN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50403582 (CHEMBL60606) Show SMILES FC(F)(F)c1ccc(cc1)C(OCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C20H19F3N2O/c21-20(22,23)17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)26-12-4-7-18-13-24-14-25-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosom...				Bioorg Med Chem Lett 6: 2013-2018 (1996) Article DOI: 10.1016/0960-894X(96)00361-7 BindingDB Entry DOI: 10.7270/Q2C82BGZ
					More data for this Ligand-Target Pair