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There are 3 purchasable compounds for target: KM-102-derived reductase-like factor

Wt: 284.3
BDBM50241461
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Wt: 696.8
BDBM50315537
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Wt: 188.3
BDBM50426071
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50241461,50315537,50426071   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50426071
PNG
(CHEMBL406050 | US9018255, PX-12)
Show SMILES CCC(C)SSc1ncc[nH]1
Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
DrugBank
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+4n/an/an/an/a7.6n/a



Instytut Chemii Organicznej Polskiej Akademii Nauk; Warszawski Uniwersytet Medyczny

US Patent


Assay Description
The method of determining thioredoxin activity is based on the reduction of insulin by thioredoxin. Thioredoxin is reconstituted is by thioredoxin re...


Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase 1


Bioorg Med Chem 18: 2566-74 (2010)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/a7.4n/a



Biochemie-Zentrum der Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TrxR1 at pH 7.4


Antimicrob Agents Chemother 52: 183-91 (2007)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50241461,50315537,50426071
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM197310
JPEG
BDBM50241461
JPEG
PC cid
PC sid
PC cid
PC sid
-10.3n/an/a7.597.4024.9



University of California San Diego





J Comput Aided Mol Des (2016)