Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50213647'   

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))	BDBM50213647 ((Z)-propyl 2-(2-isopropylphenylimino)-5,5-dimethyl...) Show SMILES CCCSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C19H28N2S3/c1-6-11-23-18(22)21-12-19(4,5)13-24-17(21)20-16-10-8-7-9-15(16)14(2)3/h7-10,14H,6,11-13H2,1-5H3/b20-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	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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