Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50213629'   

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))	BDBM50213629 ((Z)-methyl 5,5-dimethyl-2-(2-(trifluoromethyl)phen...) Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H17F3N2S3/c1-14(2)8-20(13(21)22-3)12(23-9-14)19-11-7-5-4-6-10(11)15(16,17)18/h4-7H,8-9H2,1-3H3/b19-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 17: 4030-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.093 BindingDB Entry DOI: 10.7270/Q2P55N60
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