Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213891'   

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))	BDBM50213891 (3-[(Z)-3-methoxy-phenylimino]-2-thia-4-aza-spiro[5...) Show SMILES COc1cccc(c1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-7-14(11-15)19-16-20(17(22)23-2)12-18(13-24-16)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3/b19-16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co. Ltd Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
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