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BDBM50127704 CHEMBL3629694

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

InChI Key: InChIKey=MVKUBNHBCBBIDD-SZTHYHRVSA-K

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127704   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
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...

J Med Chem 58: 7972-90 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FMQ
More data for this
Ligand-Target Pair