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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50096076   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50096076
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:14.15,34.35|
Show InChI InChI=1S/C39H47N3O8/c1-24-26(38(49)34-28(36(24)47)14-9-16-30(34)43)12-3-5-18-32(45)41-22-8-7-20-40-21-11-23-42-33(46)19-6-4-13-27-25(2)37(48)29-15-10-17-31(44)35(29)39(27)50/h3-4,9-10,12-17,40,43-44,47-50H,5-8,11,18-23H2,1-2H3,(H,41,45)(H,42,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.70E+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