Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50114674'   

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 2 (Homo sapiens (Human))	BDBM50114674 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES CC(C)CNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H20Cl3N3O/c1-12(2)11-25-21(28)19-13(3)20(14-4-6-15(22)7-5-14)27(26-19)18-9-8-16(23)10-17(18)24/h4-10,12H,11H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	704	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]-CP- 55 940 as radioligand				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
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