Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50176405'   

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))	BDBM50176405 (3-(2-chlorophenyl)-2-(4-chlorophenyl)-6-cyclohexyl...) Show SMILES Clc1ccc(cc1)-n1nc2c(ncn(C3CCCCC3)c2=O)c1-c1ccccc1Cl |(7.43,-6.25,;8.19,-4.92,;7.42,-3.58,;8.19,-2.25,;9.73,-2.25,;10.5,-3.57,;9.74,-4.91,;10.49,-.9,;12.02,-.74,;12.33,.77,;11,1.54,;11.01,3.07,;12.33,3.85,;13.66,3.07,;15,3.84,;16.33,3.05,;17.66,3.81,;17.68,5.35,;16.35,6.13,;15,5.37,;13.66,1.53,;15,.76,;9.86,.5,;8.35,.81,;7.33,-.33,;5.83,-.02,;5.35,1.45,;6.37,2.59,;7.87,2.28,;8.9,3.42,)| Show InChI InChI=1S/C23H20Cl2N4O/c24-15-10-12-17(13-11-15)29-22(18-8-4-5-9-19(18)25)20-21(27-29)23(30)28(14-26-20)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-Groton Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 16: 731-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.019 BindingDB Entry DOI: 10.7270/Q2TM79PM
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