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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50096040'   
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)		BDBM50096040
PNG
(3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCN1CCN(CCCNC(=O)C=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:32.34,14.16|
Show InChI InChI=1S/C38H44N4O6/c1-25-27(37(47)31-11-5-3-9-29(31)35(25)45)13-15-33(43)39-17-7-19-41-21-23-42(24-22-41)20-8-18-40-34(44)16-14-28-26(2)36(46)30-10-4-6-12-32(30)38(28)48/h3-6,9-16,45-48H,7-8,17-24H2,1-2H3,(H,39,43)(H,40,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



UMR 8525 CNRS - Université Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.

J Med Chem 44: 548-65 (2001)


BindingDB Entry DOI: 10.7270/Q2MC8Z7R
More data for this
Ligand-Target Pair