Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50314116'   

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))	BDBM50314116 (1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...) Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	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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