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BDBM50097657 (4S,5R,6R)-4-Amino-5-butyrylamino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL353573

SMILES: CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CCC)C(O)=O

InChI Key: InChIKey=JFCFUGPGBPMRPY-PWIZWCRZSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097657   
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
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50097657
PNG
((4S,5R,6R)-4-Amino-5-butyrylamino-6-(phenethyl-pro...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CCC)C(O)=O
Show InChI InChI=1S/C22H31N3O5/c1-3-8-18(26)24-19-16(23)14-17(22(28)29)30-20(19)21(27)25(12-4-2)13-11-15-9-6-5-7-10-15/h5-7,9-10,14,16,19-20H,3-4,8,11-13,23H2,1-2H3,(H,24,26)(H,28,29)/t16-,19+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against influenza B sialidase (Victoria)


Bioorg Med Chem Lett 11: 669-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00019-1
BindingDB Entry DOI: 10.7270/Q26M37CN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50097657
PNG
((4S,5R,6R)-4-Amino-5-butyrylamino-6-(phenethyl-pro...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CCC)C(O)=O
Show InChI InChI=1S/C22H31N3O5/c1-3-8-18(26)24-19-16(23)14-17(22(28)29)30-20(19)21(27)25(12-4-2)13-11-15-9-6-5-7-10-15/h5-7,9-10,14,16,19-20H,3-4,8,11-13,23H2,1-2H3,(H,24,26)(H,28,29)/t16-,19+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against influenza A sialidase (Aichi)


Bioorg Med Chem Lett 11: 669-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00019-1
BindingDB Entry DOI: 10.7270/Q26M37CN
More data for this
Ligand-Target Pair