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

InChI Key: InChIKey=YSNDUXYKGHHEPT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096036   
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)		BDBM50096036
PNG
(3-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CC(=O)NCCCCNCCCNC(=O)C=Cc1c(C)c(O)c2cccc(O)c2c1O |w:31.33,15.17|
Show InChI InChI=1S/C35H39N3O8/c1-20-22(34(45)30-24(32(20)43)8-5-10-26(30)39)12-14-28(41)37-18-4-3-16-36-17-7-19-38-29(42)15-13-23-21(2)33(44)25-9-6-11-27(40)31(25)35(23)46/h5-6,8-15,36,39-40,43-46H,3-4,7,16-19H2,1-2H3,(H,37,41)(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.90E+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