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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-galactoside alpha-2,6-sialyltransferase 1' and Ligand = 'BDBM50127706'   
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))
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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))
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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