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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM60660'   
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)
BDBM60660
PNG
(2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzi...)
Show SMILES Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C22H28N6/c23-15-9-11-17-19(13-15)27-21(25-17)7-5-3-1-2-4-6-8-22-26-18-12-10-16(24)14-20(18)28-22/h9-14H,1-8,23-24H2,(H,25,27)(H,26,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.06E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins


Bioorg Med Chem Lett 21: 5255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.036
BindingDB Entry DOI: 10.7270/Q2ZP46HX
More data for this
Ligand-Target Pair