Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50259574'   

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))	BDBM50259574 (5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...) Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2nncn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19Cl2N5/c1-24(2,3)23-29-21-18(22-30-27-13-31(22)23)12-17(14-8-10-15(25)11-9-14)20(28-21)16-6-4-5-7-19(16)26/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human cannabinoid CB2R expressed in CHO cells				Bioorg Med Chem Lett 19: 2591-4 (2009) Article DOI: 10.1016/j.bmcl.2009.03.005 BindingDB Entry DOI: 10.7270/Q2PK0G1X
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