Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50258606'   

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))	BDBM50258606 (CHEMBL467476 | N-(4-Methylcyclohexyl)-1-benzyl-1,8...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |(17.99,-33.21,;16.65,-33.98,;16.65,-35.52,;15.32,-36.29,;13.98,-35.51,;13.98,-33.98,;15.32,-33.21,;12.65,-36.28,;11.32,-35.51,;11.31,-33.97,;9.98,-36.29,;8.63,-35.51,;7.3,-36.3,;5.96,-35.54,;4.63,-36.31,;4.63,-37.85,;5.97,-38.62,;7.3,-37.85,;8.65,-38.62,;8.65,-40.16,;9.99,-40.92,;9.99,-42.45,;11.32,-43.22,;12.65,-42.44,;12.64,-40.91,;11.32,-40.16,;9.99,-37.84,;11.33,-38.61,)| Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells				J Med Chem 52: 3644-51 (2009) Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K
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