Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50265642'   

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))	BDBM50265642 (CHEMBL498215 | N'-[(3Z)-1-(2-Cyclohexylethyl)-6-me...) Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(CCC3CCCCC3)c2c1 |w:7.7| Show InChI InChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17H,2,4-5,8-9,14-15H2,1H3,(H,26,28)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay				J Med Chem 52: 433-44 (2009) Article DOI: 10.1021/jm801353p BindingDB Entry DOI: 10.7270/Q20G3M2X
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