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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50104663'   
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)		BDBM50104663
PNG
(1-Benzyl-3-[2-(6-chloro-2-methoxy-acridin-9-ylamin...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C24H23ClN4O2/c1-31-18-8-10-21-20(14-18)23(19-9-7-17(25)13-22(19)29-21)26-11-12-27-24(30)28-15-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,26,29)(H2,27,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.93E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypanothione reductase was determined

Bioorg Med Chem Lett 11: 2655-7 (2001)


BindingDB Entry DOI: 10.7270/Q2154G90
More data for this
Ligand-Target Pair