Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50204201'   

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))	BDBM50204201 (6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(1-methyl-...) Show SMILES Cn1cc(cn1)-c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14Cl2N4/c1-28-13-16(12-26-28)21-15(11-25)10-19(14-6-8-17(23)9-7-14)22(27-21)18-4-2-3-5-20(18)24/h2-10,12-13H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	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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