Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50342047'   

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))	BDBM50342047 (4-Cyano-N-(4-cyanotetrahydro-2H-pyran-4-yl)-1-(2-i...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H20IN5O3/c1-32-17-8-6-16(7-9-17)22-18(14-26)21(29-30(22)20-5-3-2-4-19(20)25)23(31)28-24(15-27)10-12-33-13-11-24/h2-9H,10-13H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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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