Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50295712'   

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 (Homo sapiens (Human))	BDBM50295712 (10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...) Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1 Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-11-22(20)37-25-19(26(34)35)8-5-10-21(25)32/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Phrama. Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting				Bioorg Med Chem Lett 19: 2766-71 (2009) Article DOI: 10.1016/j.bmcl.2009.03.124 BindingDB Entry DOI: 10.7270/Q2GM87BK
					More data for this Ligand-Target Pair