Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50298940'   

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))	BDBM50298940 (CHEMBL573086 | N-(4-Chlorophenyl)1-(3,4-dichloroph...) Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 |(14.86,-7.25,;15.77,-6,;17.3,-6.01,;17.78,-4.54,;16.53,-3.64,;16.53,-2.1,;15.29,-4.54,;13.82,-4.06,;13.36,-2.6,;14.26,-1.35,;11.81,-2.6,;11.34,-4.06,;12.58,-4.97,;12.58,-6.51,;11.25,-7.28,;11.24,-8.82,;12.58,-9.59,;12.57,-11.12,;13.91,-8.81,;15.24,-9.59,;13.92,-7.28,;10.91,-1.35,;11.54,.06,;9.37,-1.51,;8.47,-.27,;6.94,-.42,;6.04,.82,;6.66,2.22,;5.76,3.47,;8.2,2.39,;9.1,1.14,)| Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-17-8-6-16(24)7-9-17)28-30(23)18-10-11-19(25)20(26)12-18/h4-12H,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
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