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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50178805'   
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)		BDBM50178805
PNG
(CHEMBL436292 | N-benzhydryl-3-(5-chloro-2-(phenylt...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClN2S/c1-33(2,30(24-13-6-3-7-14-24)25-15-8-4-9-16-25)22-12-21-32-28-23-26(31)19-20-29(28)34-27-17-10-5-11-18-27/h3-11,13-20,23,30,32H,12,21-22H2,1-2H3/q+1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate

J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair