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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50076184
PNG
(CHEMBL32856)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c(OC)c1
Show InChI InChI=1S/C18H17NO6/c1-23-14-10-16(24-2)18(17(11-14)25-3)15(20)8-7-12-5-4-6-13(9-12)19(21)22/h4-11H,1-3H3/b8-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of TrxR in human HeLa cells assessed as depletion of cellular thiol after 48 hrs


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50076184
PNG
(CHEMBL32856)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c(OC)c1
Show InChI InChI=1S/C18H17NO6/c1-23-14-10-16(24-2)18(17(11-14)25-3)15(20)8-7-12-5-4-6-13(9-12)19(21)22/h4-11H,1-3H3/b8-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
In vitro inhibition of NADPH-reduced TrxR (unknown origin) after 2 hrs incubation by microplate reader


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of TrxR in human HeLa cells assessed as depletion of cellular thiol after 48 hrs


Citation and Details
More data for this
Ligand-Target Pair