BDBM50213893 3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylimino]-2-thia-4-aza-spiro[5.5]undecane-4-carbodithioic acid methyl ester::CHEMBL233139

SMILES: CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12

InChI Key: InChIKey=WXJPHGUKYWDHIA-QOCHGBHMSA-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 = 50213893   

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))	BDBM50213893 (3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12 Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	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))	BDBM50213893 (3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12 Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	85	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