Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50298938'   

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))	BDBM50298938 (CHEMBL574045 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...) Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 |(1.82,-24.7,;2.72,-23.45,;4.25,-23.43,;4.73,-21.97,;3.47,-21.07,;3.46,-19.53,;2.23,-21.99,;.76,-21.52,;.28,-20.06,;1.17,-18.81,;-1.27,-20.07,;-1.73,-21.54,;-.48,-22.43,;-.46,-23.98,;-1.79,-24.75,;-1.78,-26.29,;-.44,-27.06,;-.43,-28.59,;.89,-26.27,;2.23,-27.04,;.88,-24.73,;-2.18,-18.83,;-1.56,-17.42,;-3.71,-19,;-4.62,-17.76,;-6.15,-17.94,;-7.07,-16.7,;-8.6,-16.87,;-9.52,-15.63,;-8.9,-14.22,;-9.81,-12.98,;-7.37,-14.05,;-6.45,-15.29,)| Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)20-10-11-21(27)22(28)14-20)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)	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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