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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50070269'   
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)		BDBM50070269
PNG
(CHEMBL17208 | Heptanedioic acid (3-{4-bromo-2-[3-(...)
Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4[N+]([O-])=O)c3)c2)CC1
Show InChI InChI=1S/C39H43BrN6O5S2/c1-44-21-23-45(24-22-44)20-19-39(49)43-33-25-28(40)17-18-35(33)52-31-11-7-9-29(26-31)41-37(47)15-3-2-4-16-38(48)42-30-10-8-12-32(27-30)53-36-14-6-5-13-34(36)46(50)51/h5-14,17-18,25-27H,2-4,15-16,19-24H2,1H3,(H,41,47)(H,42,48)(H,43,49)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+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