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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50070278'   
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 cruzi)		BDBM50070278
PNG
(CHEMBL279833 | Pentanedioic acid (3-{4-bromo-2-[3-...)
Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCCC3)c2)CC1
Show InChI InChI=1S/C32H44BrN5O3S/c1-37-17-19-38(20-18-37)16-15-32(41)36-28-21-25(33)13-14-29(28)42-27-10-5-9-26(22-27)35-31(40)12-6-11-30(39)34-23-24-7-3-2-4-8-24/h5,9-10,13-14,21-22,24H,2-4,6-8,11-12,15-20,23H2,1H3,(H,34,39)(H,35,40)(H,36,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2

Bioorg Med Chem Lett 8: 1175-80 (1999)


BindingDB Entry DOI: 10.7270/Q2ZC821D
More data for this
Ligand-Target Pair