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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50093204'   
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)		BDBM50093204
PNG
(4-(1H-Indol-3-yl)-N-(3-{4-[3-(4-1H-indol-3-yl-buty...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H48N6O2/c41-33(17-7-11-27-25-39-31-15-3-1-13-29(27)31)37-23-9-21-35-19-5-6-20-36-22-10-24-38-34(42)18-8-12-28-26-40-32-16-4-2-14-30(28)32/h1-4,13-16,25-26,35-36,39-40H,5-12,17-24H2,(H,37,41)(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.26E+3n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme

Bioorg Med Chem Lett 10: 2367-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6KKC
More data for this
Ligand-Target Pair