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

InChI Key: InChIKey=SYTGOHSGCZEABR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096010   
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)		BDBM50096010
PNG
(3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O |w:29.31,14.16|
Show InChI InChI=1S/C34H37N3O6/c1-21-23(33(42)27-11-5-3-9-25(27)31(21)40)13-15-29(38)36-19-7-17-35-18-8-20-37-30(39)16-14-24-22(2)32(41)26-10-4-6-12-28(26)34(24)43/h3-6,9-16,35,40-43H,7-8,17-20H2,1-2H3,(H,36,38)(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 5.00E+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