Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50209800'   

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))	BDBM50209800 (CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...) Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
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