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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase III' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase III


(Rattus norvegicus)
BDBM50366831
PNG
(CHEMBL610973)
Show SMILES Nc1ccn(C2O[C@H](COP([O-])(=O)N[C@@H](c3ccccc3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C16H22N4O10P2/c17-11-6-7-20(16(23)18-11)15-13(22)12(21)10(30-15)8-29-32(27,28)19-14(31(24,25)26)9-4-2-1-3-5-9/h1-7,10,12-15,21-22H,8H2,(H2,17,18,23)(H2,19,27,28)(H2,24,25,26)/p-3/t10-,12-,13-,14-,15?/m1/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
6.80E+4n/an/an/an/an/an/an/an/a



Universitaet Konstanz

Curated by ChEMBL


Assay Description
Inhibition of alpha-(2-6)-Sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 3351-4 (2003)

More data for this
Ligand-Target Pair
Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase III


(Rattus norvegicus)
BDBM50366830
PNG
(CHEMBL611276)
Show SMILES Nc1ccn(C2O[C@H](COP([O-])(=O)N[C@H](c3ccccc3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C16H22N4O10P2/c17-11-6-7-20(16(23)18-11)15-13(22)12(21)10(30-15)8-29-32(27,28)19-14(31(24,25)26)9-4-2-1-3-5-9/h1-7,10,12-15,21-22H,8H2,(H2,17,18,23)(H2,19,27,28)(H2,24,25,26)/p-3/t10-,12-,13-,14+,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.40E+5n/an/an/an/an/an/an/an/a



Universitaet Konstanz

Curated by ChEMBL


Assay Description
Inhibition of alpha-(2-6)-Sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 3351-4 (2003)

More data for this
Ligand-Target Pair