Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50204180'   

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))	BDBM50204180 (6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB2 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
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