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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'peng' and Initial = 'xc'   
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 subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50493380
PNG
(CHEMBL2425469)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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14n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis


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) (...)
BDBM50493373
PNG
(CHEMBL2425478)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)
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45n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis


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) (...)
BDBM50493380
PNG
(CHEMBL2425469)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 83n/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) (...)
BDBM50493373
PNG
(CHEMBL2425478)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)
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n/an/a 230n/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) (...)
BDBM50493380
PNG
(CHEMBL2425469)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 360n/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) (...)
BDBM50493365
PNG
(CHEMBL2425479)
Show SMILES ONC(=O)CC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-2-1-5(3-7(6)11)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)
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n/an/a 370n/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) (...)
BDBM50498382
PNG
(CHEMBL3594250)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-6-1-9(7-13(12)17)8-14-10-2-4-11(5-3-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 620n/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) (...)
BDBM50493373
PNG
(CHEMBL2425478)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)
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n/an/a 910n/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) (...)
BDBM50493374
PNG
(CHEMBL2425482)
Show SMILES ONC(=O)CC(O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14)
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n/an/a 1.04E+3n/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) (...)
BDBM50493375
PNG
(CHEMBL2425465)
Show SMILES ONC(=O)CC(O)c1ccccc1Cl
Show InChI InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 1.19E+3n/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) (...)
BDBM50493381
PNG
(CHEMBL2425471)
Show SMILES ONC(=O)CC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)
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n/an/a 1.22E+3n/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) (...)
BDBM50493364
PNG
(CHEMBL2425480)
Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
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n/an/a 1.28E+3n/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) (...)
BDBM50493365
PNG
(CHEMBL2425479)
Show SMILES ONC(=O)CC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-2-1-5(3-7(6)11)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)
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n/an/a 1.42E+3n/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) (...)
BDBM50483032
PNG
(CHEMBL1276205)
Show SMILES Oc1ccc(CCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9,15-17H,1-2H2
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n/an/a 1.50E+3n/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) (...)
BDBM50498382
PNG
(CHEMBL3594250)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-6-1-9(7-13(12)17)8-14-10-2-4-11(5-3-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 1.92E+3n/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) (...)
BDBM50498368
PNG
(CHEMBL3594254)
Show SMILES Oc1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-5-4-9(6-13(12)17)8-14-10-2-1-3-11(7-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 2.33E+3n/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) (...)
BDBM50493384
PNG
(CHEMBL2425474)
Show SMILES ONC(=O)CC(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 3.39E+3n/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) (...)
BDBM50493378
PNG
(CHEMBL2425470)
Show SMILES ONC(=O)CC(O)c1cccc(F)c1
Show InChI InChI=1S/C9H10FNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 3.99E+3n/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) (...)
BDBM50483032
PNG
(CHEMBL1276205)
Show SMILES Oc1ccc(CCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9,15-17H,1-2H2
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n/an/a 4.20E+3n/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) (...)
BDBM50483042
PNG
(CHEMBL1276241)
Show SMILES CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
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n/an/a 4.90E+3n/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) (...)
BDBM50493371
PNG
(CHEMBL2425466)
Show SMILES ONC(=O)CC(O)c1ccccc1F
Show InChI InChI=1S/C9H10FNO3/c10-7-4-2-1-3-6(7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 5.60E+3n/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) (...)
BDBM50483038
PNG
(CHEMBL1276204)
Show SMILES Oc1ccc(CCc2ccc(F)cc2)cc1O
Show InChI InChI=1S/C14H13FO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9,16-17H,1-2H2
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n/an/a 6.20E+3n/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) (...)
BDBM50493381
PNG
(CHEMBL2425471)
Show SMILES ONC(=O)CC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)
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n/an/a 6.81E+3n/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) (...)
BDBM50493383
PNG
(CHEMBL2425477)
Show SMILES CN(C)c1ccc(cc1)C(O)CC(=O)NO
Show InChI InChI=1S/C11H16N2O3/c1-13(2)9-5-3-8(4-6-9)10(14)7-11(15)12-16/h3-6,10,14,16H,7H2,1-2H3,(H,12,15)
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n/an/a 7.13E+3n/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) (...)
BDBM50493366
PNG
(CHEMBL2425476)
Show SMILES ONC(=O)CC(O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-6(2-4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)
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n/an/a 7.89E+3n/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) (...)
BDBM50483035
PNG
(CHEMBL1276242)
Show SMILES CCCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7,11-12H,2-4H2,1H3
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n/an/a 7.90E+3n/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) (...)
BDBM50493377
PNG
(CHEMBL2425475)
Show SMILES ONC(=O)CC(O)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 8.01E+3n/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) (...)
BDBM50498386
PNG
(CHEMBL3594251)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O3/c16-13-7-1-10(2-8-13)9-14-11-3-5-12(6-4-11)15(17)18/h1-8,14,16H,9H2
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n/an/a 8.26E+3n/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) (...)
BDBM50483039
PNG
(CHEMBL1276106)
Show SMILES Oc1ccc(CCc2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C14H13ClO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9,16-17H,1-2H2
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n/an/a 8.30E+3n/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) (...)
BDBM50493374
PNG
(CHEMBL2425482)
Show SMILES ONC(=O)CC(O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14)
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n/an/a 8.90E+3n/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) (...)
BDBM50493375
PNG
(CHEMBL2425465)
Show SMILES ONC(=O)CC(O)c1ccccc1Cl
Show InChI InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 9.21E+3n/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) (...)
BDBM50498368
PNG
(CHEMBL3594254)
Show SMILES Oc1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-5-4-9(6-13(12)17)8-14-10-2-1-3-11(7-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 9.52E+3n/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) (...)
BDBM50493382
PNG
(CHEMBL2425481)
Show SMILES COc1ccc(F)cc1C(O)CC(=O)NO
Show InChI InChI=1S/C10H12FNO4/c1-16-9-3-2-6(11)4-7(9)8(13)5-10(14)12-15/h2-4,8,13,15H,5H2,1H3,(H,12,14)
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n/an/a 1.10E+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) (...)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.12E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease


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) (...)
BDBM50493364
PNG
(CHEMBL2425480)
Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
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n/an/a 1.13E+4n/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) (...)
BDBM50483036
PNG
(CHEMBL1276284)
Show SMILES CCCCCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)12(14)9-10/h7-9,13-14H,2-6H2,1H3
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n/an/a 1.23E+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) (...)
BDBM50498379
PNG
(CHEMBL3594256)
Show SMILES [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C14H12N2O4/c17-16(18)12-3-1-2-11(7-12)15-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,15H,8-9H2
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n/an/a 1.31E+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) (...)
BDBM50493378
PNG
(CHEMBL2425470)
Show SMILES ONC(=O)CC(O)c1cccc(F)c1
Show InChI InChI=1S/C9H10FNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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n/an/a 1.33E+4n/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) (...)
BDBM50493379
PNG
(CHEMBL2425463)
Show SMILES ONC(=O)CC(O)c1ccccc1
Show InChI InChI=1S/C9H11NO3/c11-8(6-9(12)10-13)7-4-2-1-3-5-7/h1-5,8,11,13H,6H2,(H,10,12)
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n/an/a 1.56E+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) (...)
BDBM50483033
PNG
(CHEMBL1276107)
Show SMILES Oc1ccc(CCc2cccc(Cl)c2)cc1O
Show InChI InChI=1S/C14H13ClO2/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)14(17)9-11/h1-3,6-9,16-17H,4-5H2
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n/an/a 1.57E+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) (...)
BDBM50498383
PNG
(CHEMBL3594257)
Show SMILES CN(C)c1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H17N3O2/c1-17(2)14-8-6-12(7-9-14)11-16-13-4-3-5-15(10-13)18(19)20/h3-10,16H,11H2,1-2H3
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n/an/a 1.68E+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) (...)
BDBM50483040
PNG
(CHEMBL1276239)
Show SMILES Oc1ccc(CCc2cccc(Br)c2)cc1O
Show InChI InChI=1S/C14H13BrO2/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)14(17)9-11/h1-3,6-9,16-17H,4-5H2
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n/an/a 1.69E+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 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
3D
3D Structure (crystal)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50483042
PNG
(CHEMBL1276241)
Show SMILES CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
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n/an/a 1.73E+4n/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 1.84E+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
3D
3D Structure (crystal)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50498370
PNG
(CHEMBL3594252)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-8,15H,9H2
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n/an/a 1.95E+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) (...)
BDBM50483034
PNG
(CHEMBL1276240)
Show SMILES COc1ccc(CCc2ccc(O)c(O)c2)cc1OC
Show InChI InChI=1S/C16H18O4/c1-19-15-8-6-12(10-16(15)20-2)4-3-11-5-7-13(17)14(18)9-11/h5-10,17-18H,3-4H2,1-2H3
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n/an/a 2.27E+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) (...)
BDBM50493369
PNG
(CHEMBL2425468)
Show SMILES COc1cccc(c1)C(O)CC(=O)NO
Show InChI InChI=1S/C10H13NO4/c1-15-8-4-2-3-7(5-8)9(12)6-10(13)11-14/h2-5,9,12,14H,6H2,1H3,(H,11,13)
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n/an/a 2.32E+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) (...)
BDBM50498381
PNG
(CHEMBL3594253)
Show SMILES [O-][N+](=O)c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11N3O4/c17-15(18)12-5-1-10(2-6-12)9-14-11-3-7-13(8-4-11)16(19)20/h1-8,14H,9H2
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n/an/a 2.63E+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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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
3D
3D Structure (crystal)
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