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SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)NCCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2cccc(O)c2c1O

InChI Key: InChIKey=RNMJOYZYRQMSIO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096061   
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)		BDBM50096061
PNG
(6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)NCCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:14.15,36.37|
Show InChI InChI=1S/C41H51N3O8/c1-26-28(40(51)36-30(38(26)49)16-11-18-32(36)45)14-5-3-7-20-34(47)43-24-10-9-22-42-23-13-25-44-35(48)21-8-4-6-15-29-27(2)39(50)31-17-12-19-33(46)37(31)41(29)52/h5-6,11-12,14-19,42,45-46,49-52H,3-4,7-10,13,20-25H2,1-2H3,(H,43,47)(H,44,48)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+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