BDBM50038312 CHEMBL3360514

SMILES: [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12

InChI Key: InChIKey=SQTNQISEVXUUSS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50038312   

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
Glutathione S-transferase Mu 2 (Homo sapiens (Human))	BDBM50038312 (CHEMBL3360514) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12 Show InChI InChI=1S/C18H16N4O6S/c23-18(21-27-15-3-1-2-10-26-15)11-4-6-12(7-5-11)29-14-9-8-13(22(24)25)16-17(14)20-28-19-16/h4-9,15H,1-3,10H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" University of Rome Curated by ChEMBL					Assay Description Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method				Eur J Med Chem 89: 156-71 (2014) Article DOI: 10.1016/j.ejmech.2014.10.033 BindingDB Entry DOI: 10.7270/Q26D5VMX
					More data for this Ligand-Target Pair
Glutathione transferase (GST) (Homo sapiens (Human))	BDBM50038312 (CHEMBL3360514) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12 Show InChI InChI=1S/C18H16N4O6S/c23-18(21-27-15-3-1-2-10-26-15)11-4-6-12(7-5-11)29-14-9-8-13(22(24)25)16-17(14)20-28-19-16/h4-9,15H,1-3,10H2,(H,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" University of Rome Curated by ChEMBL					Assay Description Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method				Eur J Med Chem 89: 156-71 (2014) Article DOI: 10.1016/j.ejmech.2014.10.033 BindingDB Entry DOI: 10.7270/Q26D5VMX
					More data for this Ligand-Target Pair