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BDBM50360451 CHEMBL1934619

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

InChI Key: InChIKey=AZDGKMAJTNBEJF-RCDMGETGNA-N

Data: 2 IC50  2 EC50

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 = 50360451   
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
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/s2
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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/s2
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Article
PubMed
n/an/an/an/a 1.08E+6n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/s2
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Article
PubMed
n/an/an/an/a 2.48E+6n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair