Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50163123'   

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))	BDBM50163123 (2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-5-meth...) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.6,-.33,;1.08,-.01,;.47,1.42,;-1.07,1.24,;-1.39,-.26,;-2.75,-.4,;-3.52,-1.76,;-5.06,-1.75,;-5.83,-.4,;-7.37,-.4,;-5.06,.91,;-3.52,.91,;-.06,-1.03,;-.06,-2.57,;1.24,-3.34,;1.24,-4.88,;-.09,-5.63,;-.11,-7.17,;-1.42,-4.86,;-1.39,-3.32,;-2.73,-2.53,;1.24,2.73,;1.17,4.27,;2.71,2.35,;3.8,3.45,;5.3,3.03,;6.38,4.12,;5.98,5.59,;4.49,6.01,;3.39,4.9,)| Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(15-5-7-16(23)8-6-15)29(14)19-10-9-17(24)13-18(19)25/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells				J Med Chem 48: 1823-38 (2005) Article DOI: 10.1021/jm040843r BindingDB Entry DOI: 10.7270/Q2251JX2
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