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SMILES: CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4OCOc4c3)c2)CC1

InChI Key: InChIKey=GIZGRLHRWPQQSV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070285   
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)		BDBM50070285
PNG
(CHEMBL278203 | Pentanedioic acid (benzo[1,3]dioxol...)
Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4OCOc4c3)c2)CC1
Show InChI InChI=1S/C33H38BrN5O5S/c1-38-14-16-39(17-15-38)13-12-33(42)37-27-19-24(34)9-11-30(27)45-26-5-2-4-25(20-26)36-32(41)7-3-6-31(40)35-21-23-8-10-28-29(18-23)44-22-43-28/h2,4-5,8-11,18-20H,3,6-7,12-17,21-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)
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MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2

Bioorg Med Chem Lett 8: 1175-80 (1999)


BindingDB Entry DOI: 10.7270/Q2ZC821D
More data for this
Ligand-Target Pair