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SMILES: Cc1c(O)c2ccccc2c(O)c1C=CCCNC(=O)OC(C)(C)C

InChI Key: InChIKey=FDEXEAHEZCAIGU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096072   
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)		BDBM50096072
PNG
(CHEMBL153287 | [4-(3-Methyl-1,4-dioxo-1,4-dihydro-...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCNC(=O)OC(C)(C)C |w:14.16|
Show InChI InChI=1S/C20H25NO4/c1-13-14(9-7-8-12-21-19(24)25-20(2,3)4)18(23)16-11-6-5-10-15(16)17(13)22/h5-7,9-11,22-23H,8,12H2,1-4H3,(H,21,24)
PDB
MMDB

KEGG

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PC cid
PC sid
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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