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PubMed code 26406919

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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 |r|
Show InChI InChI=1S/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?;;;/m1.../s1
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 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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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 |r|
Show InChI InChI=1S/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?;;;/m0.../s1
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 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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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 |r|
Show InChI InChI=1S/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?;;;/m0.../s1
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 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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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+].[H][C@@]1(C[C@H](NC(C)=O)[C@@H](C1)OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O |r|
Show InChI InChI=1S/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?;;;/m0.../s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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+].[H][C@@]1(C[C@H](NC(C)=O)[C@@H](C1)OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O |r|
Show InChI InChI=1S/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?;;;/m0.../s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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+].[H][C@]1(C[C@@H](CNC(C)=O)[C@@H](C1)OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O |r|
Show InChI InChI=1S/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?;;;/m1.../s1
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 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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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+].[H][C@]1(C[C@H](NC(C)=O)[C@@H](C1)OCc1ccccc1)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O |r|
Show InChI InChI=1S/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?;;;/m1.../s1
PDB

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UniChem
Article
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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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+].[H][C@]1(C[C@@H](O)[C@H](C1)NC(C)=O)C(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)P([O-])([O-])=O |r|
Show InChI InChI=1S/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?;;;/m0.../s1
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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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
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 |r|
Show InChI InChI=1S/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?;;;/m1.../s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
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...

J Med Chem 58: 7972-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01181
BindingDB Entry DOI: 10.7270/Q20V8FMQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%