Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50418280'   

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))	BDBM50418280 (CHEMBL1767163) Show SMILES CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C37H47ClN4O2/c1-40(22-9-6-11-30-16-20-33(21-17-30)44-28-10-25-41-23-7-2-3-8-24-41)26-27-42-37(43)35-13-5-4-12-34(35)36(39-42)29-31-14-18-32(38)19-15-31/h4-5,12-21H,2-3,6-11,22-29H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
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