Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213888'   

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))	BDBM50213888 (8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...) Show SMILES CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C19H26N2S3/c1-14(2)15-8-4-5-9-16(15)20-17-21(18(22)23-3)12-19(13-24-17)10-6-7-11-19/h4-5,8-9,14H,6-7,10-13H2,1-3H3/b20-17-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	541	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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