Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50320182'   

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))	BDBM50320182 (7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...) Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3	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	790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 3750-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR
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