BDBM50213904 3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5]undecane-4-carbodithioic acid methyl ester::CHEMBL392842

SMILES: CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC

InChI Key: InChIKey=HLUAOFFXZVLDCJ-JZJYNLBNSA-N

Data: 2 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 2 hits for monomerid = 50213904   

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))	BDBM50213904 (3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...) Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/b20-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213904 (3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...) Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/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	95	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
					More data for this Ligand-Target Pair