Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50163130'   

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))	BDBM50163130 (1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 |wU:24.26,wD:27.30,(2.12,-.24,;.61,.09,;,1.49,;-1.53,1.32,;-1.86,-.17,;-3.21,-.33,;-3.98,-1.66,;-5.53,-1.66,;-6.29,-.33,;-7.83,-.31,;-5.53,1.02,;-3.98,1.02,;-3.21,2.33,;-.53,-.96,;-.53,-2.5,;-1.87,-3.24,;-1.88,-4.77,;-.56,-5.55,;-.58,-7.09,;.78,-4.79,;.78,-3.24,;.77,2.82,;.71,4.36,;2.31,2.82,;3.84,2.82,;4.61,4.15,;6.16,4.15,;6.92,2.82,;8.46,2.8,;6.15,1.49,;4.61,1.49,)| Show InChI InChI=1S/C23H22Cl3N3O2/c1-13-21(23(31)27-16-5-9-18(30)10-6-16)28-22(19-11-4-15(25)12-20(19)26)29(13)17-7-2-14(24)3-8-17/h2-4,7-8,11-12,16,18,30H,5-6,9-10H2,1H3,(H,27,31)/t16-,18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	399	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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