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BDBM5221 (3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxycyclohex-1-ene-1-carboxylic acid::carbocyclic analogue 14

SMILES: CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O

InChI Key: InChIKey=OEZYEYXMBIPGKG-IVZWLZJFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5221   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5221
PNG
((3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxyc...)
Show SMILES CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5S/c1-3-4-18-9-6-7(11(14)15)5-8(12)10(9)13-19(2,16)17/h6,8-10,13H,3-5,12H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Patents

Article
n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase of influenza A/PR/8/34(H1N1)


Bioorg Med Chem Lett 7: 1837-1842 (1997)


Article DOI: 10.1016/S0960-894X(97)00333-8
BindingDB Entry DOI: 10.7270/Q2DN45JN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5221
PNG
((3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxyc...)
Show SMILES CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5S/c1-3-4-18-9-6-7(11(14)15)5-8(12)10(9)13-19(2,16)17/h6,8-10,13H,3-5,12H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
n/an/a 2.50E+4n/an/an/an/a6.537



Gilead Sciences Inc



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 7: 1837-42 (1997)


Article DOI: 10.1021/jm048989d
BindingDB Entry DOI: 10.7270/Q2FX77MK
More data for this
Ligand-Target Pair