Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50277228'   

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))	BDBM50277228 (4-(5-(5-tert-butyl-4H-1,2,4-triazol-3-yl)-2-methyl...) Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc([nH]1)C(C)(C)C Show InChI InChI=1S/C17H24N4O3S/c1-12-5-6-13(15-18-16(20-19-15)17(2,3)4)11-14(12)25(22,23)21-7-9-24-10-8-21/h5-6,11H,7-10H2,1-4H3,(H,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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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