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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50280883'   
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)		BDBM50280883
PNG
((2-(2-Benzyloxycarbonylamino-2-{[(3-dimethylamino-...)
Show SMILES CN(C)CCCNC(=O)CNC(=O)C(CSCSCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCN(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H56N8O8S2/c1-44(2)19-11-17-38-32(46)21-40-34(48)30(42-36(50)52-23-28-13-7-5-8-14-28)25-54-27-55-26-31(43-37(51)53-24-29-15-9-6-10-16-29)35(49)41-22-33(47)39-18-12-20-45(3)4/h5-10,13-16,30-31H,11-12,17-27H2,1-4H3,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H,43,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 3.10E+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