Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50204183'   

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))	BDBM50204183 (5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...) Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
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