Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50342051'   

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))	BDBM50342051 (1-(2-Chlorophenyl)-N-(4-cyanotetrahydro-2H-pyran-4...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccccc1Cl)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H21ClN4O2/c1-16-20(22(29)26-23(15-25)11-13-30-14-12-23)27-28(19-10-6-5-9-18(19)24)21(16)17-7-3-2-4-8-17/h2-10H,11-14H2,1H3,(H,26,29)	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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