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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50004449   
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
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) (...)
BDBM50476589
PNG
(4-(P-Hydroxyphenethyl)Pyrogallol | CHEMBL243822)
Show SMILES Oc1ccc(CCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C14H14O4/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17/h2-3,5-8,15-18H,1,4H2
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n/an/a 3.20E+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) (...)
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 3.24E+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) (...)
BDBM50483043
PNG
(CHEMBL1276108)
Show SMILES CCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C8H10O3/c1-2-5-3-4-6(9)8(11)7(5)10/h3-4,9-11H,2H2,1H3
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n/an/a 3.40E+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) (...)
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 3.81E+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) (...)
BDBM50483045
PNG
(CHEMBL1276206)
Show SMILES Oc1ccc(CCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C14H13FO3/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17/h2-3,5-8,16-18H,1,4H2
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n/an/a 4.30E+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) (...)
BDBM50483024
PNG
(CHEMBL1276207)
Show SMILES Oc1ccc(CCc2ccc(Cl)cc2)c(O)c1O
Show InChI InChI=1S/C14H13ClO3/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17/h2-3,5-8,16-18H,1,4H2
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n/an/a 4.70E+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) (...)
BDBM50483025
PNG
(CHEMBL1276035)
Show SMILES Oc1ccc(CCc2ccc(Br)cc2)c(O)c1O
Show InChI InChI=1S/C14H13BrO3/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17/h2-3,5-8,16-18H,1,4H2
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n/an/a 4.80E+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) (...)
BDBM50483026
PNG
(CHEMBL1276036)
Show SMILES Oc1ccc(CCc2cccc(Cl)c2)c(O)c1O
Show InChI InChI=1S/C14H13ClO3/c15-11-3-1-2-9(8-11)4-5-10-6-7-12(16)14(18)13(10)17/h1-3,6-8,16-18H,4-5H2
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n/an/a 5.00E+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) (...)
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 5.01E+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) (...)
BDBM50483046
PNG
(CHEMBL1276037)
Show SMILES Oc1ccc(CCc2cccc(Br)c2)c(O)c1O
Show InChI InChI=1S/C14H13BrO3/c15-11-3-1-2-9(8-11)4-5-10-6-7-12(16)14(18)13(10)17/h1-3,6-8,16-18H,4-5H2
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n/an/a 5.20E+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) (...)
BDBM50483048
PNG
(CHEMBL1276285)
Show SMILES CCCCCCCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-9-10-13(15)14(16)11-12/h9-11,15-16H,2-8H2,1H3
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n/an/a 5.80E+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) (...)
BDBM50483028
PNG
(CHEMBL1276359)
Show SMILES CCOc1ccc(CCc2ccc(O)c(O)c2O)cc1OCC
Show InChI InChI=1S/C18H22O5/c1-3-22-15-10-6-12(11-16(15)23-4-2)5-7-13-8-9-14(19)18(21)17(13)20/h6,8-11,19-21H,3-5,7H2,1-2H3
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n/an/a 6.90E+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) (...)
BDBM50483027
PNG
(CHEMBL1276338)
Show SMILES COc1ccc(CCc2ccc(O)c(O)c2O)cc1OC
Show InChI InChI=1S/C16H18O5/c1-20-13-8-4-10(9-14(13)21-2)3-5-11-6-7-12(17)16(19)15(11)18/h4,6-9,17-19H,3,5H2,1-2H3
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n/an/a 7.10E+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) (...)
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 7.78E+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) (...)
BDBM50483050
PNG
(CHEMBL1276131)
Show SMILES CCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H14O3/c1-2-3-4-7-5-6-8(11)10(13)9(7)12/h5-6,11-13H,2-4H2,1H3
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n/an/a 7.90E+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) (...)
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 8.89E+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) (...)
BDBM50483029
PNG
(CHEMBL1276132)
Show SMILES CCCCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-6-9-7-8-10(13)12(15)11(9)14/h7-8,13-15H,2-6H2,1H3
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n/an/a 9.10E+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) (...)
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 9.47E+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 1.01E+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
3D
3D Structure (crystal)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50483030
PNG
(CHEMBL1276133)
Show SMILES CCCCCCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-11-9-10-12(15)14(17)13(11)16/h9-10,15-17H,2-8H2,1H3
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n/an/a 1.03E+5n/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) (...)
BDBM50483049
PNG
(CHEMBL1276134)
Show SMILES CCCCCCCCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(17)16(19)15(13)18/h11-12,17-19H,2-10H2,1H3
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n/an/a 1.24E+5n/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) (...)
BDBM50483047
PNG
(CHEMBL1276360)
Show SMILES CCCCCCCCCCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(19)18(21)17(15)20/h13-14,19-21H,2-12H2,1H3
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n/an/a 1.68E+5n/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) (...)
BDBM50483041
PNG
(4-(3,4-Dimethoxyphenethyl)Phenol | CHEMBL1276286)
Show SMILES COc1ccc(CCc2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C16H18O3/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h5-11,17H,3-4H2,1-2H3
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n/an/a 2.04E+5n/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) (...)
BDBM50479919
PNG
(2-(3,4-Dimethoxyphenethyl)Phenol | CHEMBL472762)
Show SMILES COc1ccc(CCc2ccccc2O)cc1OC
Show InChI InChI=1S/C16H18O3/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-6,8,10-11,17H,7,9H2,1-2H3
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n/an/a 2.27E+5n/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) (...)
BDBM50483037
PNG
(CHEMBL1276287)
Show SMILES COc1ccc(CCc2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C16H17ClO2/c1-18-15-9-8-13(11-16(15)19-2)7-6-12-4-3-5-14(17)10-12/h3-5,8-11H,6-7H2,1-2H3
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n/an/a 2.35E+5n/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) (...)
BDBM50483031
PNG
(CHEMBL1276361)
Show SMILES CCCCCCCCCCCCCCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(21)20(23)19(17)22/h15-16,21-23H,2-14H2,1H3
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n/an/a 2.50E+5n/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) (...)
BDBM50483044
PNG
(CHEMBL1275656)
Show SMILES COc1ccc(CCc2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C16H17ClO2/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h5-11H,3-4H2,1-2H3
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n/an/a 2.54E+5n/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