BindingDB

null

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

InChI Key InChIKey=NENPYTRHICXVCS-YNEHKIRRSA-N

PDB links: 42 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 4994

Neuraminidase(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
National Taiwan University

Curated by ChEMBL

BDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)copy SMILEScopy InChI

IC50: 1nMAssay Description:Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q2MC92JDPubMed PDB

3D Structure (crystal)

Neuraminidase(Influenza A virus)
National Taiwan University

Curated by ChEMBL

BDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)copy SMILEScopy InChI

IC50: 370nMAssay Description:Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant using MUNANA as substrate preincubated for 10 mins followed by substrat...More data for this Ligand-Target Pair

PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2MC92JDPubMed PDB

3D Structure (crystal)

Targets 9 ▿
- Neuraminidase 98
- Integrase 2
- Solute carrier family 22 member 6 1
- Sialidase A 1
- Sialidase-1 1
- Sialidase-3 1
- Sialidase-2 1
- Sialidase 1
- Sialidase-4 1
Publications 36 ▿
- J Med Chem 61: 6379-6397 (2018) 12
- Antimicrob Agents Chemother 53: 3088-96 (2009) 11
- J Med Chem 59: 5297-310 (2016) 8
- J Med Chem 57: 759-69 (2014) 8
- Antimicrob Agents Chemother 52: 3484-91 (2008) 6
- Bioorg Med Chem 20: 2152-7 (2012) 4
- J Med Chem 57: 3154-60 (2014) 4
- Eur J Med Chem 146: 220-231 (2018) 3
- J Med Chem 61: 9976-9999 (2018) 3
- J Med Chem 55: 8657-70 (2012) 3
- Bioorg Med Chem 16: 7141-7 (2008) 3
- Eur J Med Chem 154: 314-323 (2018) 2
- Bioorg Med Chem Lett 9: 2811-4 (1999) 2
- Bioorg Med Chem Lett 10: 1257-60 (2000) 2
- J Med Chem 41: 2451-60 (1998) 2
- Eur J Med Chem 163: 710-721 (2019) 2
- Eur J Med Chem 187: (2020) 2
- J Med Chem 43: 3482-6 (2000) 2
- Eur J Med Chem 178: 64-80 (2019) 2
- Bioorg Med Chem Lett 8: 3321-4 (1998) 2
- Bioorg Med Chem 28: (2020) 1
- Drug Metab Dispos 40: 1328-35 (2012) 1
- Bioorg Med Chem 27: 2935-2947 (2019) 1
- Eur J Med Chem 182: (2019) 1
- J Med Chem 47: 3463-82 (2004) 1
- Eur J Med Chem 173: 305-313 (2019) 1
- Bioorg Med Chem Lett 18: 1692-5 (2008) 1
- J Enzyme Inhib Med Chem 26: 506-13 (2011) 1
- Bioorg Med Chem 22: 6647-54 (2015) 1
- Eur J Med Chem 185: (2020) 1
- Bioorg Med Chem 16: 3839-47 (2008) 1
- Eur J Med Chem 43: 569-76 (2008) 1
- BMC Biochem 13: 19 (2012) 1
- Bioorg Med Chem Lett 27: 5429-5435 (2017) 1
- Bioorg Med Chem Lett 28: 3477-3482 (2018) 1
- Bioorg Med Chem Lett 7: 1837-42 (1997) 1
Institutions 23 ▿
- [Shandong University] 24
- [National Taiwan University] 12
- [St. Jude Children's Research Hospital] 11
- [Gilead Sciences Inc.] 9
- [Christian-Albrechts University of Kiel] 8
- [Miyagi Cancer Center Research Institute] 6
- [Chulalongkorn University, Utrecht University] 4
- [Chulalongkorn University, Utrecht University] 4
- [Peking Union Medical College, The Genomics Research Center] 3
- [Peking Union Medical College, The Genomics Research Center] 3
- [BioCryst Pharmaceuticals, Inc., Shanghai Institute of Technology] 2
- [BioCryst Pharmaceuticals, Inc., Shanghai Institute of Technology] 2
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
- [Shenyang Pharmaceutical University, University of Michigan, Charles University, Abbott Laboratories, Prin. K.M. Kundnani College of Pharmacy, TBA, The Hong Kong Polytechnic University, Sunesis Pharmaceuticals Inc., Lanzhou University, Wuyi University, Universit� degli Studi di Siena] 1
Affinity: 0.10 to 4.5E+7 nM▿
- Ki 8
- IC50 99
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1