Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50342041'   

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 1 (Homo sapiens (Human))	BDBM50342041 (1-(2-Bromophenyl)-N-(1-cyanocyclohexyl)-4-methyl-5...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccccc1Br)C(=O)NC1(CCCCC1)C#N Show InChI InChI=1S/C24H23BrN4O/c1-17-21(23(30)27-24(16-26)14-8-3-9-15-24)28-29(20-13-7-6-12-19(20)25)22(17)18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 CB1 receptor				J Med Chem 54: 2961-70 (2011) Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS
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