Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50204190'   

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))	BDBM50204190 (5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobu...) Show SMILES CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl3N3/c1-13(2)12-27-22-15(11-26)9-19(14-3-5-16(23)6-4-14)21(28-22)18-8-7-17(24)10-20(18)25/h3-10,13H,12H2,1-2H3,(H,27,28)	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	89	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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