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BDBM50259704 CHEMBL4066587

SMILES: CN(C)CCCNC(=O)c1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=VDCUKJRGHJAYON-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50259704   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50259704
PNG
(CHEMBL4066587)
Show SMILES CN(C)CCCNC(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O4/c1-12(2)7-3-6-11-10(14)8-4-5-9(17-8)13(15)16/h4-5H,3,6-7H2,1-2H3,(H,11,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.18E+5n/an/an/an/an/an/an/an/a



Universidad Nacional del Litoral

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method


Eur J Med Chem 125: 1088-1097 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.055
BindingDB Entry DOI: 10.7270/Q2TM7DKH
More data for this
Ligand-Target Pair