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SMILES: CN(C)CCCNC(=O)CNC(=O)C(CSCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCN(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=AMKBUAZRSHIJJV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50280881   
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)		BDBM50280881
PNG
((2-(2-Benzyloxycarbonylamino-2-{[(3-dimethylamino-...)
Show SMILES CN(C)CCCNC(=O)CNC(=O)C(CSCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCN(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H54N8O8S/c1-43(2)19-11-17-37-31(45)21-39-33(47)29(41-35(49)51-23-27-13-7-5-8-14-27)25-53-26-30(42-36(50)52-24-28-15-9-6-10-16-28)34(48)40-22-32(46)38-18-12-20-44(3)4/h5-10,13-16,29-30H,11-12,17-26H2,1-4H3,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)
PDB
MMDB

KEGG

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PC sid
UniChem

Similars
Article
 9.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against recombinant Trypanothione reductase from Trypanosoma cruzi

Bioorg Med Chem Lett 3: 1971-1976 (1993)


Article DOI: 10.1016/S0960-894X(01)80997-5
BindingDB Entry DOI: 10.7270/Q2KK9BQQ
More data for this
Ligand-Target Pair