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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trans-sialidase' and Ligand = 'BDBM50266506'   
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
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair