Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50265649'   

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))	BDBM50265649 (2-(4-benzyl-5-m-tolyl-4H-1,2,4-triazol-3-ylthio)-N...) Show SMILES Cc1cccc(c1)-c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccccc1 Show InChI InChI=1S/C24H28N4OS/c1-18-9-8-12-20(15-18)23-26-27-24(28(23)16-19-10-4-2-5-11-19)30-17-22(29)25-21-13-6-3-7-14-21/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
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