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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50099857'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
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)
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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Article
PubMed
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)
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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Article
PubMed
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)
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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Article
PubMed
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)
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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Article
PubMed
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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CHEBI
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PDB
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PDB
Article
PubMed
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)