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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: 14 IC50  2 Kd

PDB links: 28 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 16 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/IC50
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



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
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
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 (docked)
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 (docked)
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 (docked)
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


(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
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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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)