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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218808'   
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 3


(Homo sapiens (Human))
BDBM50218808
PNG
(CHEMBL89726)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OC\C=C\c3ccccc3)c12 |c:2|
Show InChI InChI=1S/C29H20O4/c30-23-17-18-29(32-25-15-4-11-21-12-5-16-26(33-29)27(21)25)22-13-6-14-24(28(22)23)31-19-7-10-20-8-2-1-3-9-20/h1-18H,19H2/b10-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


BindingDB Entry DOI: 10.7270/Q22R3TTN
More data for this
Ligand-Target Pair