Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50163137'   

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))	BDBM50163137 (1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...) Show SMILES CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20Cl3N3O/c1-4-26(5-2)21(28)19-13(3)27(16-9-6-14(22)7-10-16)20(25-19)17-11-8-15(23)12-18(17)24/h6-12H,4-5H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	828	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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