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BDBM4994 (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::CHEMBL674::GS4071::Oseltamivir carboxylate

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=NENPYTRHICXVCS-UHFFFAOYSA-N

Data: 8 KI  103 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 113 hits for monomerid = 4994   
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


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/a6.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/a6.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/a6.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 4n/an/an/an/a6.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/a6.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus H3N2)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 5.05E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 8.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 7.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 4.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 7.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1.63E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 817n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 61n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 370n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Budgerigar/Hokkaido/1/...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Duck/Ukraine/1/1963 H3...)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 8.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 2.83E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 217n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 36n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 3.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 2.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1.13E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 1.40E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a 0.440n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4994
PNG
(CHEMBL674 | (3R,4R,5S)-5-amino-4-acetamido-3-(pent...)
GoogleScholar
UniChem
n/an/a>100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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