BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase'   
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
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127702
PNG
(CHEMBL3629697)
Show SMILES [Na+].[Na+].[Na+].Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OC(c3cccc(Oc4ccccc4)c3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C22H25N3O12P2.3Na/c23-17-9-10-25(22(28)24-17)20-19(27)18(26)16(36-20)12-34-39(32,33)37-21(38(29,30)31)13-5-4-8-15(11-13)35-14-6-2-1-3-7-14;;;/h1-11,16,18-21,26-27H,12H2,(H,32,33)(H2,23,24,28)(H2,29,30,31);;;/q;3*+1/p-3/t16-,18-,19-,20-,21?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
19n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127703
PNG
(CHEMBL3629696)
Show SMILES [Na+].[Na+].[Na+].CC(=O)NC[C@@H]1CCC(OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)([C@H]1OCc1ccccc1)P([O-])([O-])=O
Show InChI InChI=1/C24H34N4O13P2.3Na/c1-14(29)26-11-16-7-9-24(42(33,34)35,21(16)38-12-15-5-3-2-4-6-15)41-43(36,37)39-13-17-19(30)20(31)22(40-17)28-10-8-18(25)27-23(28)32;;;/h2-6,8,10,16-17,19-22,30-31H,7,9,11-13H2,1H3,(H,26,29)(H,36,37)(H2,25,27,32)(H2,33,34,35);;;/q;3*+1/p-3/t16-,17+,19+,20+,21-,22+,24?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
28n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127706
PNG
(CHEMBL3629692)
Show SMILES [Na+].[Na+].[Na+].CC(=O)N[C@H]1C[C@@H](C[C@H]1OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O
Show InChI InChI=1/C24H34N4O13P2.3Na/c1-13(29)26-16-9-15(10-17(16)38-11-14-5-3-2-4-6-14)23(42(33,34)35)41-43(36,37)39-12-18-20(30)21(31)22(40-18)28-8-7-19(25)27-24(28)32;;;/h2-8,15-18,20-23,30-31H,9-12H2,1H3,(H,26,29)(H,36,37)(H2,25,27,32)(H2,33,34,35);;;/q;3*+1/p-3/t15-,16-,17+,18+,20+,21+,22+,23?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
436n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127703
PNG
(CHEMBL3629696)
Show SMILES [Na+].[Na+].[Na+].CC(=O)NC[C@@H]1CCC(OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)([C@H]1OCc1ccccc1)P([O-])([O-])=O
Show InChI InChI=1/C24H34N4O13P2.3Na/c1-14(29)26-11-16-7-9-24(42(33,34)35,21(16)38-12-15-5-3-2-4-6-15)41-43(36,37)39-13-17-19(30)20(31)22(40-17)28-10-8-18(25)27-23(28)32;;;/h2-6,8,10,16-17,19-22,30-31H,7,9,11-13H2,1H3,(H,26,29)(H,36,37)(H2,25,27,32)(H2,33,34,35);;;/q;3*+1/p-3/t16-,17+,19+,20+,21-,22+,24?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
477n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127704
PNG
(CHEMBL3629694)
Show SMILES [Na+].[Na+].[Na+].CC(=O)NC[C@@H]1C[C@H](C[C@H]1OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O
Show InChI InChI=1/C25H36N4O13P2.3Na/c1-14(30)27-11-17-9-16(10-18(17)39-12-15-5-3-2-4-6-15)24(43(34,35)36)42-44(37,38)40-13-19-21(31)22(32)23(41-19)29-8-7-20(26)28-25(29)33;;;/h2-8,16-19,21-24,31-32H,9-13H2,1H3,(H,27,30)(H,37,38)(H2,26,28,33)(H2,34,35,36);;;/q;3*+1/p-3/t16-,17+,18-,19-,21-,22-,23-,24?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
865n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127705
PNG
(CHEMBL3629693)
Show SMILES [Na+].[Na+].[Na+].CC(=O)N[C@H]1C[C@H](C[C@H]1OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O
Show InChI InChI=1/C24H34N4O13P2.3Na/c1-13(29)26-16-9-15(10-17(16)38-11-14-5-3-2-4-6-14)23(42(33,34)35)41-43(36,37)39-12-18-20(30)21(31)22(40-18)28-8-7-19(25)27-24(28)32;;;/h2-8,15-18,20-23,30-31H,9-12H2,1H3,(H,26,29)(H,36,37)(H2,25,27,32)(H2,33,34,35);;;/q;3*+1/p-3/t15-,16+,17-,18-,20-,21-,22-,23?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.51E+3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127706
PNG
(CHEMBL3629692)
Show SMILES [Na+].[Na+].[Na+].CC(=O)N[C@H]1C[C@@H](C[C@H]1OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O
Show InChI InChI=1/C24H34N4O13P2.3Na/c1-13(29)26-16-9-15(10-17(16)38-11-14-5-3-2-4-6-14)23(42(33,34)35)41-43(36,37)39-12-18-20(30)21(31)22(40-18)28-8-7-19(25)27-24(28)32;;;/h2-8,15-18,20-23,30-31H,9-12H2,1H3,(H,26,29)(H,36,37)(H2,25,27,32)(H2,33,34,35);;;/q;3*+1/p-3/t15-,16-,17+,18+,20+,21+,22+,23?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.63E+3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127707
PNG
(CHEMBL3629691)
Show SMILES [Na+].[Na+].[Na+].CC(=O)N[C@H]1C[C@@H](C[C@H]1O)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O
Show InChI InChI=1/C17H28N4O13P2.3Na/c1-7(22)19-9-4-8(5-10(9)23)16(35(27,28)29)34-36(30,31)32-6-11-13(24)14(25)15(33-11)21-3-2-12(18)20-17(21)26;;;/h2-3,8-11,13-16,23-25H,4-6H2,1H3,(H,19,22)(H,30,31)(H2,18,20,26)(H2,27,28,29);;;/q;3*+1/p-3/t8-,9-,10+,11+,13+,14+,15+,16?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
4.31E+3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50127709
PNG
(CHEMBL3629689)
Show SMILES [Na+].[Na+].[Na+].Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OC(C3CCCC3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C15H25N3O11P2.3Na/c16-10-5-6-18(15(21)17-10)13-12(20)11(19)9(28-13)7-27-31(25,26)29-14(30(22,23)24)8-3-1-2-4-8;;;/h5-6,8-9,11-14,19-20H,1-4,7H2,(H,25,26)(H2,16,17,21)(H2,22,23,24);;;/q;3*+1/p-3/t9-,11-,12-,13-,14?;;;/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.85E+3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double recipr...


Citation and Details
More data for this
Ligand-Target Pair
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
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
PDB

KEGG

UniProtKB/SwissProt

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


Citation and Details
More data for this
Ligand-Target Pair