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BDBM50099857 ACETOHYDROXAMIC ACID (AHA)::AHA::Acethydroxamsaeure::Acethydroxamsaure::Acetic acid, oxime::Acetylhydroxamic acid::Cetohyroxamic acid::Lithostat::Methylhydroxamic acid::N-Acetyl hydroxyacetamide::N-Acetylhydroxylamine::N-Hydroxyacetamide::acetohydroxamic acid

SMILES: CC(=O)NO

InChI Key: InChIKey=RRUDCFGSUDOHDG-UHFFFAOYSA-N

Data: 1 KI  38 IC50  2 Kd

PDB links: 29 PDB IDs match this monomer.

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 41 hits for monomerid = 50099857   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/an/a 1.70E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding to stromelysin (MMP-3) in place of acetohydroxamic acid.


J Med Chem 45: 5628-39 (2002)


Article DOI: 10.1021/jm020160g
BindingDB Entry DOI: 10.7270/Q20C4V3M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/an/a 1.70E+7n/an/an/an/an/a



Sunesis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Dissociation constant for Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Urease


(Helicobacter pylori ATCC43504)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.25E+4n/an/an/an/a7.44



Wuhan Textile University



Assay Description
Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...


J Enzyme Inhib Med Chem 27: 528-32 (2012)


Article DOI: 10.3109/14756366.2011.599065
BindingDB Entry DOI: 10.7270/Q2445KC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide Deformylase


(Staphylococcus aureus (strain Mu50 / ATCC 700699))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of Peptidyl deformylase (PDF)


Bioorg Med Chem Lett 11: 1355-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00242-6
BindingDB Entry DOI: 10.7270/Q2D50M7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


J Nat Prod 69: 1800-2 (2006)


Article DOI: 10.1021/np060242y
BindingDB Entry DOI: 10.7270/Q2348K4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 6.25E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 17: 4562-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.091
BindingDB Entry DOI: 10.7270/Q2CC10C4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 6.25E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in domain of SMRT


Bioorg Med Chem Lett 17: 4619-24 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.080
BindingDB Entry DOI: 10.7270/Q2WH2PPV
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.14E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant anthrax lethal factor after 30 mins by fluorescence assay


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.50E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.15E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE


Bioorg Med Chem Lett 19: 6350-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.077
BindingDB Entry DOI: 10.7270/Q2833T06
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.72E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hrs by indophenol method


Eur J Med Chem 156: 126-136 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.065
BindingDB Entry DOI: 10.7270/Q2N87DBC
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production preincubated for 1.5 hrs under cell free condition by...


Eur J Med Chem 156: 126-136 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.065
BindingDB Entry DOI: 10.7270/Q2N87DBC
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.08E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production using urea as substrate preincubated for 1.5 hrs b...


Bioorg Med Chem 26: 4145-4152 (2018)


Article DOI: 10.1016/j.bmc.2018.07.003
BindingDB Entry DOI: 10.7270/Q2N87DFQ
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production using urea as substrate preincubated for 1.5 hrs unde...


Bioorg Med Chem 26: 4145-4152 (2018)


Article DOI: 10.1016/j.bmc.2018.07.003
BindingDB Entry DOI: 10.7270/Q2N87DFQ
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method


Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease assessed as ammonia production preincubated for 1.5 hrs by indophenol method


Bioorg Med Chem 23: 4860-4865 (2015)


Article DOI: 10.1016/j.bmc.2015.05.026
BindingDB Entry DOI: 10.7270/Q2HQ42XZ
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease after 50 mins by indophenol method


Bioorg Med Chem Lett 28: 3182-3186 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.025
BindingDB Entry DOI: 10.7270/Q2PN9894
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...


Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM dithiothreitol after 3 hrs pre-incubation


Bioorg Med Chem 15: 3703-10 (2007)


Article DOI: 10.1016/j.bmc.2007.03.045
BindingDB Entry DOI: 10.7270/Q2P55R84
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease after 3 hrs pre-incubation


Bioorg Med Chem 15: 3703-10 (2007)


Article DOI: 10.1016/j.bmc.2007.03.045
BindingDB Entry DOI: 10.7270/Q2P55R84
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM 2-mercaptoethanol after 3 hrs pre-incubation


Bioorg Med Chem 15: 3703-10 (2007)


Article DOI: 10.1016/j.bmc.2007.03.045
BindingDB Entry DOI: 10.7270/Q2P55R84
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease assessed as ammonia production by indophenol method


Eur J Med Chem 44: 2246-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.001
BindingDB Entry DOI: 10.7270/Q2F192JD
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method


Eur J Med Chem 68: 212-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.047
BindingDB Entry DOI: 10.7270/Q28G8PNR
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method


Eur J Med Chem 68: 212-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.047
BindingDB Entry DOI: 10.7270/Q28G8PNR
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.63E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease assessed as ammonia production preincubated for 3 hrs measured by indophenol method


Bioorg Med Chem 20: 4889-94 (2012)


Article DOI: 10.1016/j.bmc.2012.07.002
BindingDB Entry DOI: 10.7270/Q2BZ68X2
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol method


Eur J Med Chem 63: 685-95 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.016
BindingDB Entry DOI: 10.7270/Q2D79FB1
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease assessed as ammonia production after 3 hrs by indophenol method


Bioorg Med Chem 17: 7531-6 (2009)


Article DOI: 10.1016/j.bmc.2009.09.018
BindingDB Entry DOI: 10.7270/Q270847M
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in intact Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production by indophenol based Berthelot color reactio...


Eur J Med Chem 45: 5064-70 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.015
BindingDB Entry DOI: 10.7270/Q2R78J2D
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of cell free Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production by indophenol based Berthelot color reactio...


Eur J Med Chem 45: 5064-70 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.015
BindingDB Entry DOI: 10.7270/Q2R78J2D
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.38E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease using urea as substrate assessed as ammonia production after 50 mins by indophenol method


Bioorg Med Chem 24: 4519-4527 (2016)


Article DOI: 10.1016/j.bmc.2016.07.052
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 9.60E+4n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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9.60E+4n/an/an/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 after 120 mins by Berthelot colorimetric analysis


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.54E+5n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.56E+5n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate preincubated for 2 hrs followed by substrate addition measu...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
More data for this
Ligand-Target Pair
Urease subunit alpha


(Escherichia coli)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 2.92E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA


Bioorg Med Chem 27: 1009-1022 (2019)


Article DOI: 10.1016/j.bmc.2019.01.043
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 4.32E+4n/an/an/an/a8.237



Quaid-I-Azam University, Islamabad, Pakistan.



Assay Description
The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...


Bioorg Chem 52: 1-7 (2014)


Article DOI: 10.1016/j.bioorg.2013.10.001
BindingDB Entry DOI: 10.7270/Q2X34W43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urease


(Helicobacter pylori)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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Article
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n/an/a 1.20E+5n/an/an/an/an/an/a



Minia University



Assay Description
The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...


Bioorg Chem 70: 1-11 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.002
BindingDB Entry DOI: 10.7270/Q2PZ57NS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)