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Found 8 hits Enz. Inhib. hit(s) with Target = 'CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase' 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
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50310540
PNG
(((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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6.40E+4n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366837
PNG
(CHEMBL608619)
Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)OCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C11H16N3O10P/c12-6-1-2-14(11(19)13-6)10-9(18)8(17)5(24-10)3-22-25(20,21)23-4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H2,12,13,19)/t5-,8-,9-,10?/m1/s1
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3.70E+5n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366833
PNG
(CHEMBL608928)
Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C20H24N5O9P/c21-15-5-6-25(20(30)23-15)18-17(27)16(26)14(34-18)9-33-35(31,32)24-13(19(28)29)7-10-8-22-12-4-2-1-3-11(10)12/h1-6,8,13-14,16-18,22,26-27H,7,9H2,(H,28,29)(H2,21,23,30)(H2,24,31,32)/t13-,14+,16+,17+,18?/m0/s1
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7.30E+5n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366836
PNG
(CHEMBL610554)
Show SMILES C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O
Show InChI InChI=1S/C12H19N4O9P/c1-5(11(19)20)15-26(22,23)24-4-6-8(17)9(18)10(25-6)16-3-2-7(13)14-12(16)21/h2-3,5-6,8-10,17-18H,4H2,1H3,(H,19,20)(H2,13,14,21)(H2,15,22,23)/t5-,6+,8+,9+,10?/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366835
PNG
(CHEMBL609514)
Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C13H19N4O11P/c14-7-1-2-17(13(24)15-7)11-10(21)9(20)6(28-11)4-27-29(25,26)16-5(12(22)23)3-8(18)19/h1-2,5-6,9-11,20-21H,3-4H2,(H,18,19)(H,22,23)(H2,14,15,24)(H2,16,25,26)/t5-,6+,9+,10+,11?/m0/s1
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2.20E+6n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366838
PNG
(CHEMBL609215)
Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)NCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C11H17N4O9P/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22)/t5-,8-,9-,10?/m1/s1
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2.40E+6n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366832
PNG
(CHEMBL609516)
Show SMILES CC(C)C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O
Show InChI InChI=1S/C15H25N4O9P/c1-7(2)5-8(14(22)23)18-29(25,26)27-6-9-11(20)12(21)13(28-9)19-4-3-10(16)17-15(19)24/h3-4,7-9,11-13,20-21H,5-6H2,1-2H3,(H,22,23)(H2,16,17,24)(H2,18,25,26)/t8-,9+,11+,12+,13?/m0/s1
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2.50E+6n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase


(Rattus norvegicus)
BDBM50366834
PNG
(CHEMBL609800)
Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C18H23N4O9P/c19-13-6-7-22(18(27)20-13)16-15(24)14(23)12(31-16)9-30-32(28,29)21-11(17(25)26)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,23-24H,8-9H2,(H,25,26)(H2,19,20,27)(H2,21,28,29)/t11-,12+,14+,15+,16?/m0/s1
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3.80E+6n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver


Bioorg Med Chem Lett 13: 301-4 (2002)

More data for this
Ligand-Target Pair