Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50296157'   

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))	BDBM50296157 (3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2,3-dihydrobenz...) Show SMILES CN(C(C(=O)Nc1ccc2OCCOc2c1)c1ccc(C)cc1)C(=O)\C=C/c1ccc2OCOc2c1 Show InChI InChI=1S/C28H26N2O6/c1-18-3-7-20(8-4-18)27(28(32)29-21-9-11-22-25(16-21)34-14-13-33-22)30(2)26(31)12-6-19-5-10-23-24(15-19)36-17-35-23/h3-12,15-16,27H,13-14,17H2,1-2H3,(H,29,32)/b12-6-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
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