Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50295723'   

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))	BDBM50295723 (2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...) Show SMILES CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1 Show InChI InChI=1S/C30H37N5O4S/c1-4-22(29(37)38)21-11-12-26-24(19-21)35(23-9-5-6-10-25(23)40-26)16-8-14-33-13-7-15-34(18-17-33)27-20-28(36)32(3)30(39)31(27)2/h5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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
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