Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50398347'   

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))	BDBM50398347 (CHEMBL2178582) Show SMILES OC(=O)Cc1ccc2OCc3ccccc3\C(=C/CN3CCCC(Cc4ccccc4)C3)c2c1 Show InChI InChI=1S/C30H31NO3/c32-30(33)19-23-12-13-29-28(18-23)27(26-11-5-4-10-25(26)21-34-29)14-16-31-15-6-9-24(20-31)17-22-7-2-1-3-8-22/h1-5,7-8,10-14,18,24H,6,9,15-17,19-21H2,(H,32,33)/b27-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
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