BindingDB

null

SMILES CC(=O)NO

InChI Key InChIKey=RRUDCFGSUDOHDG-UHFFFAOYSA-N

PDB links: 27 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50099857

Urease subunit beta(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Jishou University

Curated by ChEMBL

PNG

BDBM50099857(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)copy SMILEScopy InChI

IC50: 1.10E+5nMAssay Description:Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based methodMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
GoogleScholar

Purchase DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents

Details Article
BindingDB Entry DOI: 10.7270/Q28G8PNRPubMed PDB

3D Structure (crystal)

Urease subunit beta(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Jishou University

Curated by ChEMBL

PNG

BDBM50099857(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)copy SMILEScopy InChI

IC50: 2.76E+4nMAssay Description:Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based methodMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
GoogleScholar

Purchase DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents

Details Article
BindingDB Entry DOI: 10.7270/Q28G8PNRPubMed PDB

3D Structure (crystal)

Targets 11 ▿
- Urease subunit beta 25
- Urease subunit alpha 3
- Urease 3
- Stromelysin-1 3
- Carbonic anhydrase 2 2
- Histone deacetylase 1 2
- Succinyl-diaminopimelate desuccinylase 1
- Peptide deformylase 1
- Urease [D459Y,K653P] 1
- 72 kDa type IV collagenase 1
- Lethal factor 1
Publications 30 ▿
- J Med Chem 59: 8125-33 (2016) 4
- Bioorg Med Chem 15: 3703-10 (2007) 3
- Eur J Med Chem 68: 212-21 (2013) 2
- J Med Chem 54: 591-602 (2011) 2
- Bioorg Med Chem 23: 4508-4513 (2015) 2
- Bioorg Med Chem 26: 4145-4152 (2018) 2
- Eur J Med Chem 45: 5064-70 (2010) 2
- Eur J Med Chem 156: 126-136 (2018) 2
- J Med Chem 54: 2529-91 (2011) 1
- Bioorg Med Chem 27: 1009-1022 (2019) 1
- Eur J Med Chem 70: 487-96 (2013) 1
- Bioorg Med Chem 24: 4519-4527 (2016) 1
- J Enzyme Inhib Med Chem 27: 528-32 (2012) 1
- Bioorg Chem 52: 1-7 (2014) 1
- J Med Chem 47: 3463-82 (2004) 1
- Bioorg Med Chem Lett 17: 4562-7 (2007) 1
- Bioorg Med Chem Lett 28: 3182-3186 (2018) 1
- Bioorg Med Chem 20: 4889-94 (2012) 1
- Bioorg Med Chem Lett 17: 4619-24 (2007) 1
- Eur J Med Chem 44: 2246-51 (2009) 1
- Bioorg Med Chem Lett 19: 6350-2 (2009) 1
- Bioorg Med Chem Lett 25: 3285-9 (2015) 1
- Eur J Med Chem 63: 685-95 (2013) 1
- Bioorg Med Chem 17: 7531-6 (2009) 1
- Bioorg Med Chem 23: 4860-4865 (2015) 1
- Bioorg Chem 70: 1-11 (2017) 1
- Bioorg Med Chem Lett 11: 1355-8 (2001) 1
- J Med Chem 45: 5628-39 (2002) 1
- Bioorg Med Chem Lett 16: 4316-20 (2006) 1
- J Nat Prod 69: 1800-2 (2006) 1
Institutions 18 ▿
- [Jishou University] 13
- [Nanjing University] 7
- [Wroc?aw University of Technology] 4
- [Merck Research Laboratories, University of California] 2
- [Merck Research Laboratories, University of California] 2
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
- [Abbott Laboratories, Wuhan Textile University, Liaoning Normal University, Bristol-Myers Squibb Pharmaceutical Research and Development, Minia University, Università degli Studi di Firenze, Universiti Teknologi MARA Puncak Alam Campus, Pharmacia, Sunesis Pharmaceuticals Inc., Loyola University, University of Karachi, Quaid-i-Azam University, Quaid-I-Azam University, Islamabad, Pakistan.] 1
Affinity: 1.1E+4 to 1.7E+7 nM▿
- Ki 1
- IC50 39
- Kd 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 2
Catalog Cmpds: 1