BDBM50038329 CHEMBL3360530

SMILES: COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1

InChI Key: InChIKey=GRYYOMJWZHIYKM-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 = 50038329   

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))	BDBM50038329 (CHEMBL3360530) Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C18H16N4O7S/c1-27-17(23)12(19-18(24)28-9-11-5-3-2-4-6-11)10-30-14-8-7-13(22(25)26)15-16(14)21-29-20-15/h2-8,12H,9-10H2,1H3,(H,19,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM50038329 (CHEMBL3360530) Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C18H16N4O7S/c1-27-17(23)12(19-18(24)28-9-11-5-3-2-4-6-11)10-30-14-8-7-13(22(25)26)15-16(14)21-29-20-15/h2-8,12H,9-10H2,1H3,(H,19,24)	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	8	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