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PubMed code 26708110

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50142687
PNG
(CHEMBL3758404)
Show SMILES ClCC(=O)N1c2ccccc2COc2ccc(Cl)cc12
Show InChI InChI=1S/C15H11Cl2NO2/c16-8-15(19)18-12-4-2-1-3-10(12)9-20-14-6-5-11(17)7-13(14)18/h1-7H,8-9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50142685
PNG
(CHEMBL3758242)
Show SMILES ClCC(=O)N1c2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50142684
PNG
(CHEMBL1651446)
Show SMILES ClCC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C14H10ClNOS/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50142683
PNG
(CHEMBL1801896)
Show SMILES Clc1ccc2Oc3ccccc3Nc2c1
Show InChI InChI=1S/C12H8ClNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.92E+4n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50399189
PNG
(CHEMBL2180182)
Show SMILES CC(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C14H11NO2/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%