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SMILES: Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O

InChI Key: InChIKey=JKHDKQYKIWGVST-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096052   
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)		BDBM50096052
PNG
(3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O |w:30.32,14.16|
Show InChI InChI=1S/C35H39N3O6/c1-22-24(34(43)28-12-5-3-10-26(28)32(22)41)14-16-30(39)37-20-8-7-18-36-19-9-21-38-31(40)17-15-25-23(2)33(42)27-11-4-6-13-29(27)35(25)44/h3-6,10-17,36,41-44H,7-9,18-21H2,1-2H3,(H,37,39)(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.70E+3n/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