Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50329136'   

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))	BDBM50329136 (1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)-...) Show SMILES Cn1c(c(c2ccccc12)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H23F4N3O6S3/c1-28-18-8-4-2-6-16(18)20(21(28)36(30,31)19-9-5-3-7-17(19)23)37(32,33)29-12-10-15(11-13-29)14-27-38(34,35)22(24,25)26/h2-9,15,27H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor				Bioorg Med Chem Lett 20: 6785-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.126 BindingDB Entry DOI: 10.7270/Q26Q1XGJ
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