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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50096014'   
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)		BDBM50096014
PNG
(5-Hydroxy-2-methyl-3-[4-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:10.10|
Show InChI InChI=1S/C20H24N2O4/c1-13-14(5-4-8-17(24)22-11-9-21(2)10-12-22)20(26)18-15(19(13)25)6-3-7-16(18)23/h3-7,23,25-26H,8-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.20E+4n/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