Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50008167   

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	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					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	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071196 (4-((E)-6-Phenyl-hex-3-enyl)-1H-imidazole | CHEMBL2...) Show SMILES C(Cc1cnc[nH]1)C=CCCc1ccccc1 |w:8.9| Show InChI InChI=1S/C15H18N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071197 (4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450) Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071194 (4-(6-Phenyl-hexyl)-1H-imidazole | CHEMBL303121) Show SMILES C(CCCc1ccccc1)CCc1cnc[nH]1 Show InChI InChI=1S/C15H20N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071195 (4-Nonyl-1H-imidazole | CHEMBL60410) Show SMILES CCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-13-11-14-12/h10-11H,2-9H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071192 (((Z)-4-Non-1-enyl)-1H-imidazole | CHEMBL61729) Show SMILES CCCCCCCC=Cc1cnc[nH]1 |w:7.6| Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-9-12-10-13-11-14-12/h8-11H,2-7H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071193 (4-((Z)-4-Phenyl-but-1-enyl)-1H-imidazole | CHEMBL3...) Show SMILES C(Cc1ccccc1)C=Cc1cnc[nH]1 |w:8.8| Show InChI InChI=1S/C13H14N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,5-7,9-11H,4,8H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]-histamine from synaptosomes of r...				Bioorg Med Chem Lett 8: 2011-6 (1999) BindingDB Entry DOI: 10.7270/Q28K788H
					More data for this Ligand-Target Pair