new BindingDB logo
myBDB logout

BDBM50331673 (2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propyl)-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylate::CHEMBL1289428

SMILES: CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=ZGOKVDSRHDGGBC-QBBQCFRVSA-N

Data: 5 IC50

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 5 hits for monomerid = 50331673   
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))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 1


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU1 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair