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BDBM50352513 CHEMBL1824853

SMILES: COCCn1c(SCC(=O)CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccccc1

InChI Key: InChIKey=IFIFPOXIVQHJMU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50352513   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50352513
PNG
(CHEMBL1824853)
Show SMILES COCCn1c(SCC(=O)CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccccc1
Show InChI InChI=1S/C26H32N4O4S2/c1-34-17-16-30-25(21-8-4-2-5-9-21)19-28-26(30)35-20-23(31)18-27-22-10-12-24(13-11-22)36(32,33)29-14-6-3-7-15-29/h2,4-5,8-13,19,27H,3,6-7,14-18,20H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.11E+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