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BDBM50087155 5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-pentanoic acid (3-dibutylamino-propyl)-amide::CHEMBL155801

SMILES: CCCCN(CCCC)CCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O

InChI Key: InChIKey=NVVHHRFRDMUGOK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087155   
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)		BDBM50087155
PNG
(5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CCCCN(CCCC)CCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:17.16|
Show InChI InChI=1S/C27H40N2O3/c1-4-6-18-29(19-7-5-2)20-12-17-28-25(30)16-11-10-13-22-21(3)26(31)23-14-8-9-15-24(23)27(22)32/h8-10,13-15,31-32H,4-7,11-12,16-20H2,1-3H3,(H,28,30)
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Université Lille II

Curated by ChEMBL


Assay Description
Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate

Bioorg Med Chem Lett 10: 631-5 (2000)


BindingDB Entry DOI: 10.7270/Q2V9879F
More data for this
Ligand-Target Pair