Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50128875'   

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 H1 receptor (RAT)	BDBM50128875 (CHEMBL292195 | [3-(4-Chloro-phenyl)-3-pyridin-2-yl...) Show SMILES CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C22H27ClN4/c1-27(14-5-3-6-20-16-24-17-26-20)15-12-21(22-7-2-4-13-25-22)18-8-10-19(23)11-9-18/h2,4,7-11,13,16-17,21H,3,5-6,12,14-15H2,1H3,(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to displace [3H]-Pyrilamine from histamine H1 receptor in male SpragueDawley rat brain membranes				Bioorg Med Chem Lett 13: 1959-61 (2003) BindingDB Entry DOI: 10.7270/Q27P8XS6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50128875 (CHEMBL292195 | [3-(4-Chloro-phenyl)-3-pyridin-2-yl...) Show SMILES CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C22H27ClN4/c1-27(14-5-3-6-20-16-24-17-26-20)15-12-21(22-7-2-4-13-25-22)18-8-10-19(23)11-9-18/h2,4,7-11,13,16-17,21H,3,5-6,12,14-15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 54: 26-53 (2011) Article DOI: 10.1021/jm100064d BindingDB Entry DOI: 10.7270/Q2VQ33RV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50128875 (CHEMBL292195 | [3-(4-Chloro-phenyl)-3-pyridin-2-yl...) Show SMILES CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C22H27ClN4/c1-27(14-5-3-6-20-16-24-17-26-20)15-12-21(22-7-2-4-13-25-22)18-8-10-19(23)11-9-18/h2,4,7-11,13,16-17,21H,3,5-6,12,14-15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against histamine H1 receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair