BDBM50038313 CHEMBL3360513

SMILES: CONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1

InChI Key: InChIKey=VNPZZVYHNCQCBR-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 = 50038313   

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))	BDBM50038313 (CHEMBL3360513) Show SMILES CONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1 Show InChI InChI=1S/C14H10N4O5S/c1-22-17-14(19)8-2-4-9(5-3-8)24-11-7-6-10(18(20)21)12-13(11)16-23-15-12/h2-7H,1H3,(H,17,19)	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	130	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))	BDBM50038313 (CHEMBL3360513) Show SMILES CONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1 Show InChI InChI=1S/C14H10N4O5S/c1-22-17-14(19)8-2-4-9(5-3-8)24-11-7-6-10(18(20)21)12-13(11)16-23-15-12/h2-7H,1H3,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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