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SMILES: [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO

InChI Key: InChIKey=JINJZWSZQKHCIP-LAVLCPKXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50487728   
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
Sialidase-4


(Homo sapiens (Human))
BDBM50487728
PNG
(CHEMBL116550)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
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KEGG
PC cid
PC sid
UniChem
Article
n/an/a 7.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) NEU4 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis


Citation and Details

Article DOI: 10.1007/s00044-009-9269-6
BindingDB Entry DOI: 10.7270/Q2VD72BG
More data for this
Ligand-Target Pair
Sialidase-1


(Homo sapiens (Human))
BDBM50487728
PNG
(CHEMBL116550)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
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KEGG
PC cid
PC sid
UniChem
Article
n/an/a 1.43E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) NEU1 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis


Citation and Details

Article DOI: 10.1007/s00044-009-9269-6
BindingDB Entry DOI: 10.7270/Q2VD72BG
More data for this
Ligand-Target Pair
Sialidase-2


(Homo sapiens (Human))
BDBM50487728
PNG
(CHEMBL116550)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
PDB
MMDB

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antibodypedia
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KEGG
PC cid
PC sid
UniChem
Article
n/an/a 4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) NEU2 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis


Citation and Details

Article DOI: 10.1007/s00044-009-9269-6
BindingDB Entry DOI: 10.7270/Q2VD72BG
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50487728
PNG
(CHEMBL116550)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
n/an/a 6.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) NEU3 expressed in HEK293 cells using mixed ganglioside as substrate after 10 to 30 min by fluorometric analysis


Citation and Details

Article DOI: 10.1007/s00044-009-9269-6
BindingDB Entry DOI: 10.7270/Q2VD72BG
More data for this
Ligand-Target Pair