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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase' and Ligand = 'BDBM50385302'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thioredoxin reductase


(Escherichia coli (strain K12))
BDBM50385302
PNG
(CHEMBL2035461 | US8592468, EbSe15)
Show SMILES O=c1n(CCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C17H14N2O2Se2/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
40n/a 2.10E+3n/an/an/an/an/an/a



Thioredoxin Systems AB

US Patent


Assay Description
All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...


US Patent US8592468 (2013)


BindingDB Entry DOI: 10.7270/Q29P3081
More data for this
Ligand-Target Pair