Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50140233'   

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))	BDBM50140233 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES CC(C)C(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H22Cl3N3O/c1-12(2)14(4)26-22(29)20-13(3)21(15-5-7-16(23)8-6-15)28(27-20)19-10-9-17(24)11-18(19)25/h5-12,14H,1-4H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity towards human Cannabinoid receptor 1				Bioorg Med Chem Lett 14: 1151-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.068 BindingDB Entry DOI: 10.7270/Q2MW2GKB
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