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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'hallam' and Initial = 'l'   
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


(Rattus norvegicus)
BDBM50559955
PNG
(CHEMBL4776007)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6]=[#6](-[#8]-[#6@@H]-1-[#8]-c1ccccc1)-[#6@@H](-[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1ccc(-[#7])nc1=O)P([#8-])([#8-])=O |r,c:7|
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver ST6Gal-1 by HPLC-based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Rattus norvegicus)
BDBM50501640
PNG
(CHEMBL4102509)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ccn(-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]-[#6@@H](-c3cccc(-[#8]-c4ccccc4)c3)P([#8-])([#8-])=O)-[#6@@H](-[#8])-[#6@H]-2-[#8])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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70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver ST6Gal-1 using p-nitrophenyl-DL-alanine measured up to 20 mins by HPLC analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559954
PNG
(CHEMBL4755740)
Show SMILES O[C@@H]1[C@@H](CNC(=O)OC(c2cc3ccccc3s2)P([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
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8.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559951
PNG
(CHEMBL4751247)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNC(=O)OC(c1cccc(F)c1)P([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
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1.92E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559952
PNG
(CHEMBL4743892)
Show SMILES CCCOc1cccc(c1)C(OC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)P([O-])([O-])=O |r|
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2.03E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559953
PNG
(CHEMBL4757654)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNC(=O)OC(c1ccc(OC2CCCC2)cc1)P([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
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Article
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5.55E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559953
PNG
(CHEMBL4757654)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNC(=O)OC(c1ccc(OC2CCCC2)cc1)P([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
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UniChem
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5.55E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559950
PNG
(CHEMBL4745184)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNC(=O)OC(c1ccc(F)cc1)P([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
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PC sid
UniChem
Article
PubMed
3.06E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559950
PNG
(CHEMBL4745184)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNC(=O)OC(c1ccc(F)cc1)P([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.06E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559956
PNG
(CHEMBL4794815)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)O[C@@H](c3cccc(NC(=O)c4ccc(C([O-])=O)c(c4)-c4c5ccc([O-])cc5oc5cc(=O)ccc45)c3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
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n/an/an/a 22n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent probe from human ST6Gal-1 by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1


(Homo sapiens (Human))
BDBM50559957
PNG
(CHEMBL4795501)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)O[C@H](c3cccc(NC(=O)c4ccc(C([O-])=O)c(c4)-c4c5ccc([O-])cc5oc5cc(=O)ccc45)c3)P([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/a 9n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent probe from human ST6Gal-1 by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115561
BindingDB Entry DOI: 10.7270/Q25M69DR
More data for this
Ligand-Target Pair