Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50328963'   

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))	BDBM50328963 (CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...) Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
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