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SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCNC(=O)OC(C)(C)C

InChI Key: InChIKey=FGRWEOJGLOAUMH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096013   
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)		BDBM50096013
PNG
(CHEMBL152532 | [5-(8-Hydroxy-3-methyl-1,4-dioxo-1,...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCNC(=O)OC(C)(C)C |w:15.17|
Show InChI InChI=1S/C21H27NO5/c1-13-14(9-6-5-7-12-22-20(26)27-21(2,3)4)19(25)17-15(18(13)24)10-8-11-16(17)23/h6,8-11,23-25H,5,7,12H2,1-4H3,(H,22,26)
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.50E+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