Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50342040'   

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))	BDBM50342040 (1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1cccc(Br)c1)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H23BrN4O3/c1-16-21(23(30)27-24(15-26)10-12-32-13-11-24)28-29(19-5-3-4-18(25)14-19)22(16)17-6-8-20(31-2)9-7-17/h3-9,14H,10-13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	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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