BDBM50213894 6-[(Z)-2-isopropyl-phenylimino]-5-thia-7-aza-spiro[2.5]octane-7-carbodithioic acid methyl ester::CHEMBL232928

SMILES: CSC(=S)N1CC2(CC2)CS\C1=N/c1ccccc1C(C)C

InChI Key: InChIKey=HQKCOZXHZCXACL-SDXDJHTJSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213894   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213894 (6-[(Z)-2-isopropyl-phenylimino]-5-thia-7-aza-spiro...) Show SMILES CSC(=S)N1CC2(CC2)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C17H22N2S3/c1-12(2)13-6-4-5-7-14(13)18-15-19(16(20)21-3)10-17(8-9-17)11-22-15/h4-7,12H,8-11H2,1-3H3/b18-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair