BDBM50426066 CHEMBL2315295

SMILES: [O-][N+](=O)c1ccc2nc(SSC3CCCCC3)[nH]c2c1

InChI Key: InChIKey=XUDFAUXQKSZQPE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50426066   

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
Thioredoxin (Homo sapiens (Human))	BDBM50426066 (CHEMBL2315295) Show SMILES [O-][N+](=O)c1ccc2nc(SSC3CCCCC3)[nH]c2c1 Show InChI InChI=1S/C13H15N3O2S2/c17-16(18)9-6-7-11-12(8-9)15-13(14-11)20-19-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair