Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213906'   

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))	BDBM50213906 (3-[(Z)-4-propyl-phenylimino]-2-thia-4-aza-spiro[5....) Show SMILES CCCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C20H28N2S3/c1-3-7-16-8-10-17(11-9-16)21-18-22(19(23)24-2)14-20(15-25-18)12-5-4-6-13-20/h8-11H,3-7,12-15H2,1-2H3/b21-18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	514	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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