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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50014002   
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


(Leishmania infantum)		BDBM50571699
PNG
(CHEMBL4855840)
Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 25 uM TS2 by DTNB-r...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00206
BindingDB Entry DOI: 10.7270/Q24T6P4G
More data for this
Ligand-Target Pair