Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50342044'   

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))	BDBM50342044 (4-Bromo-1-(3-bromophenyl)-N-(4-cyanotetrahydro-2H-...) Show SMILES COc1ccc(cc1)-c1c(Br)c(nn1-c1cccc(Br)c1)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H20Br2N4O3/c1-31-18-7-5-15(6-8-18)21-19(25)20(28-29(21)17-4-2-3-16(24)13-17)22(30)27-23(14-26)9-11-32-12-10-23/h2-8,13H,9-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor				J Med Chem 54: 2961-70 (2011) Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS
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