BDBM50038300 CHEMBL3360525

SMILES: CC(=O)NCCSc1ccc([N+]([O-])=O)c2nonc12

InChI Key: InChIKey=IYPIJXCKHIHDMJ-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 = 50038300   

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 transferase (GST) (Homo sapiens (Human))	BDBM50038300 (CHEMBL3360525) Show SMILES CC(=O)NCCSc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C10H10N4O4S/c1-6(15)11-4-5-19-8-3-2-7(14(16)17)9-10(8)13-18-12-9/h2-3H,4-5H2,1H3,(H,11,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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
Glutathione S-transferase Mu 2 (Homo sapiens (Human))	BDBM50038300 (CHEMBL3360525) Show SMILES CC(=O)NCCSc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C10H10N4O4S/c1-6(15)11-4-5-19-8-3-2-7(14(16)17)9-10(8)13-18-12-9/h2-3H,4-5H2,1H3,(H,11,15)	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	70	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