Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50254066'   

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))	BDBM50254066 (1-(phenylsulfonyl)-N-(quinolin-3-yl)cyclopropaneca...) Show SMILES O=C(Nc1cnc2ccccc2c1)C1(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H16N2O3S/c22-18(21-15-12-14-6-4-5-9-17(14)20-13-15)19(10-11-19)25(23,24)16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
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