Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50314121'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50314121 (CHEMBL1089032 | N-(6-(2-chlorophenyl)-5-(4-chlorop...) Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2N2O4/c1-26(2,3)24(33)23-22(29-20(32)13-31)18-12-17(14-8-10-15(27)11-9-14)21(30-25(18)34-23)16-6-4-5-7-19(16)28/h4-12,31H,13H2,1-3H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CB1 receptor				Bioorg Med Chem Lett 20: 1448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.065 BindingDB Entry DOI: 10.7270/Q2028RPD
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