Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50277266'   

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))	BDBM50277266 (4-(2-methyl-5-(4-neopentyl-1H-imidazol-2-yl)phenyl...) Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nc(CC(C)(C)C)c[nH]1 Show InChI InChI=1S/C19H27N3O3S/c1-14-5-6-15(18-20-13-16(21-18)12-19(2,3)4)11-17(14)26(23,24)22-7-9-25-10-8-22/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry				Bioorg Med Chem Lett 19: 309-13 (2008) Article DOI: 10.1016/j.bmcl.2008.11.091 BindingDB Entry DOI: 10.7270/Q2G73DK3
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