Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50306013'   

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))	BDBM50306013 (4-chloro-2-(2-fluorophenylsulfonyl)-N-(4-(trifluor...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCCNS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C17H17ClF4N2O6S3/c18-12-7-8-15(16(11-12)31(25,26)14-6-2-1-5-13(14)19)32(27,28)23-9-3-4-10-24-33(29,30)17(20,21)22/h1-2,5-8,11,23-24H,3-4,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0
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