Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50296163'   

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))	BDBM50296163 (1-(4-(2-methoxyphenyl)piperazin-1-yl)-2-(4-phenyl-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C(C)Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C25H25F3N4O2S/c1-17(23(33)32-14-12-31(13-15-32)20-10-6-7-11-21(20)34-2)35-24-29-19(18-8-4-3-5-9-18)16-22(30-24)25(26,27)28/h3-11,16-17H,12-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.31E+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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