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SMILES: CN1CCN(CC1)C(=O)CCCc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)N1CCN(C)CC1

InChI Key: InChIKey=LOFPNCSLRWPYIW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096034   
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)		BDBM50096034
PNG
(5-Hydroxy-2,3-bis-[4-(4-methyl-piperazin-1-yl)-4-o...)
Show SMILES CN1CCN(CC1)C(=O)CCCc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)N1CCN(C)CC1 |w:26.29|
Show InChI InChI=1S/C28H38N4O5/c1-29-12-16-31(17-13-29)24(34)10-4-6-20-21(7-5-11-25(35)32-18-14-30(2)15-19-32)28(37)26-22(27(20)36)8-3-9-23(26)33/h3,5,7-9,33,36-37H,4,6,10-19H2,1-2H3
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



UMR 8525 CNRS - Université Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.

J Med Chem 44: 548-65 (2001)


BindingDB Entry DOI: 10.7270/Q2MC8Z7R
More data for this
Ligand-Target Pair