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Compile Data Set for Download or QSAR

Found 377 hits of ic50 for UniProtKB: P69996   
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50449762
PNG
(CHEMBL4172924)
Show SMILES ONC(=O)CCNc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C9H10Cl2N2O2/c10-6-1-2-8(7(11)5-6)12-4-3-9(14)13-15/h1-2,5,12,15H,3-4H2,(H,13,14)
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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 alpha/beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50449754
PNG
(CHEMBL4167553)
Show SMILES ONC(=O)CCNc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C9H10Cl2N2O2/c10-6-3-7(11)5-8(4-6)12-2-1-9(14)13-15/h3-5,12,15H,1-2H2,(H,13,14)
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n/an/a 43n/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) (...)
BDBM50449755
PNG
(CHEMBL4162915)
Show SMILES ONC(=O)CCNc1ccccc1Cl
Show InChI InChI=1S/C9H11ClN2O2/c10-7-3-1-2-4-8(7)11-6-5-9(13)12-14/h1-4,11,14H,5-6H2,(H,12,13)
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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) (...)
BDBM50462869
PNG
(CHEMBL4243350)
Show SMILES ONC(=O)CCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-6(5-8(7)11)15-4-3-9(13)12-14/h1-2,5,14H,3-4H2,(H,12,13)
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n/an/a 61n/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) (...)
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) (...)
BDBM50449765
PNG
(CHEMBL4159556)
Show SMILES ONC(=O)CCNc1ccccc1Br
Show InChI InChI=1S/C9H11BrN2O2/c10-7-3-1-2-4-8(7)11-6-5-9(13)12-14/h1-4,11,14H,5-6H2,(H,12,13)
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n/an/a 130n/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) (...)
BDBM50602006
PNG
(CHEMBL5209436)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129043
BindingDB Entry DOI: 10.7270/Q23N27G1
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50449763
PNG
(CHEMBL4176964)
Show SMILES ONC(=O)CNc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C8H8Cl2N2O2/c9-5-1-6(10)3-7(2-5)11-4-8(13)12-14/h1-3,11,14H,4H2,(H,12,13)
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n/an/a 130n/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) (...)
BDBM50449762
PNG
(CHEMBL4172924)
Show SMILES ONC(=O)CCNc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C9H10Cl2N2O2/c10-6-1-2-8(7(11)5-6)12-4-3-9(14)13-15/h1-2,5,12,15H,3-4H2,(H,13,14)
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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) (...)
BDBM50534504
PNG
(CHEMBL4590676)
Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20)
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n/an/a 150n/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
BindingDB Entry DOI: 10.7270/Q24F1V76
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50449764
PNG
(CHEMBL4170188)
Show SMILES ONC(=O)CCNc1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2O2/c10-7-1-3-8(4-2-7)11-6-5-9(13)12-14/h1-4,11,14H,5-6H2,(H,12,13)
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n/an/a 180n/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) (...)
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) (...)
BDBM50070209
PNG
(Aciphex | CHEBI:8768 | LY-307640 | Rabeprazole)
Show SMILES COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease assessed as amount of ammonia after 15 mins by indophenol method


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
BindingDB Entry DOI: 10.7270/Q2FR0130
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) (...)
BDBM50462868
PNG
(CHEMBL4251246)
Show SMILES ONC(=O)CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C9H10ClNO3/c10-7-1-3-8(4-2-7)14-6-5-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
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n/an/a 440n/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) (...)
BDBM50449756
PNG
(CHEMBL4169795)
Show SMILES ONC(=O)CCNc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C9H10Cl2N2O2/c10-6-1-2-7(11)8(5-6)12-4-3-9(14)13-15/h1-2,5,12,15H,3-4H2,(H,13,14)
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n/an/a 450n/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) (...)
BDBM50462867
PNG
(CHEMBL4245850)
Show SMILES ONC(=O)COc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H7Cl2NO3/c9-6-2-1-5(3-7(6)10)14-4-8(12)11-13/h1-3,13H,4H2,(H,11,12)
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n/an/a 520n/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) (...)
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) (...)
BDBM50449766
PNG
(CHEMBL4176993)
Show SMILES ONC(=O)CCNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H10Cl2N2O2/c10-7-2-1-6(5-8(7)11)12-4-3-9(14)13-15/h1-2,5,12,15H,3-4H2,(H,13,14)
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n/an/a 710n/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) (...)
BDBM50602003
PNG
(CHEMBL5207136)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1cccc(F)c1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129043
BindingDB Entry DOI: 10.7270/Q23N27G1
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50449772
PNG
(CHEMBL4177368)
Show SMILES ONC(=O)CNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H8Cl2N2O2/c9-6-2-1-5(3-7(6)10)11-4-8(13)12-14/h1-3,11,14H,4H2,(H,12,13)
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n/an/a 760n/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) (...)
BDBM50462877
PNG
(CHEMBL2094349 | DNDI1416965)
Show SMILES ONC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C8H7Cl2NO3/c9-5-1-2-7(6(10)3-5)14-4-8(12)11-13/h1-3,13H,4H2,(H,11,12)
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n/an/a 830n/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) (...)
BDBM50491169
PNG
(CHEMBL2377164)
Show SMILES Oc1ccc(cc1)C1=COc2c(O)c(O)ccc2C1 |t:8|
Show InChI InChI=1S/C15H12O4/c16-12-4-1-9(2-5-12)11-7-10-3-6-13(17)14(18)15(10)19-8-11/h1-6,8,16-18H,7H2
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n/an/a 850n/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) (...)
BDBM50449761
PNG
(CHEMBL4173599)
Show SMILES ONC(=O)CNc1cccc(Br)c1
Show InChI InChI=1S/C8H9BrN2O2/c9-6-2-1-3-7(4-6)10-5-8(12)11-13/h1-4,10,13H,5H2,(H,11,12)
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n/an/a 860n/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) (...)
BDBM50462873
PNG
(CHEMBL4241971)
Show SMILES ONC(=O)CCOc1ccc(Br)cc1
Show InChI InChI=1S/C9H10BrNO3/c10-7-1-3-8(4-2-7)14-6-5-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
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n/an/a 860n/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) (...)
BDBM50462869
PNG
(CHEMBL4243350)
Show SMILES ONC(=O)CCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-6(5-8(7)11)15-4-3-9(13)12-14/h1-2,5,14H,3-4H2,(H,12,13)
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n/an/a 890n/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) (...)
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) (...)
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 1.10E+3n/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
BindingDB Entry DOI: 10.7270/Q24F1V76
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50462874
PNG
(CHEMBL4250256)
Show SMILES ONC(=O)CCOc1ccc(F)cc1
Show InChI InChI=1S/C9H10FNO3/c10-7-1-3-8(4-2-7)14-6-5-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
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n/an/a 1.13E+3n/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) (...)
BDBM50449773
PNG
(CHEMBL4170147)
Show SMILES ONC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C8H9ClN2O2/c9-6-2-1-3-7(4-6)10-5-8(12)11-13/h1-4,10,13H,5H2,(H,11,12)
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n/an/a 1.15E+3n/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) (...)
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) (...)
BDBM50449791
PNG
(CHEMBL4159630)
Show SMILES ONC(=O)CCNc1ccccc1
Show InChI InChI=1S/C9H12N2O2/c12-9(11-13)6-7-10-8-4-2-1-3-5-8/h1-5,10,13H,6-7H2,(H,11,12)
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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 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) (...)
BDBM50449795
PNG
(CHEMBL4168720)
Show SMILES ONC(=O)CCNc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11N3O4/c13-9(11-14)5-6-10-7-1-3-8(4-2-7)12(15)16/h1-4,10,14H,5-6H2,(H,11,13)
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n/an/a 1.23E+3n/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) (...)
BDBM50462882
PNG
(CHEMBL4248626)
Show SMILES ONC(=O)CCOc1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClNO3/c10-7-2-1-3-8(6-7)14-5-4-9(12)11-13/h1-3,6,13H,4-5H2,(H,11,12)
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n/an/a 1.23E+3n/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) (...)
BDBM50462872
PNG
(CHEMBL4248008)
Show SMILES ONC(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C8H8ClNO3/c9-6-1-3-7(4-2-6)13-5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
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n/an/a 1.26E+3n/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) (...)
BDBM106944
PNG
(US8592468, EbSe2)
Show SMILES O=c1[nH][se]c2ccccc12
Show InChI InChI=1S/C7H5NOSe/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
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n/an/a 1.28E+3n/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
BindingDB Entry DOI: 10.7270/Q2FR0130
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) (...)
BDBM50462885
PNG
(CHEMBL4240308)
Show SMILES Cc1ccc(OCCC(=O)NO)cc1
Show InChI InChI=1S/C10H13NO3/c1-8-2-4-9(5-3-8)14-7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12)
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n/an/a 1.38E+3n/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) (...)
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) (...)
BDBM50449797
PNG
(CHEMBL4169528)
Show SMILES ONC(=O)CCNc1cc(F)cc(F)c1
Show InChI InChI=1S/C9H10F2N2O2/c10-6-3-7(11)5-8(4-6)12-2-1-9(14)13-15/h3-5,12,15H,1-2H2,(H,13,14)
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n/an/a 1.52E+3n/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) (...)
BDBM50449792
PNG
(CHEMBL4173629)
Show SMILES COc1ccccc1NCCC(=O)NO
Show InChI InChI=1S/C10H14N2O3/c1-15-9-5-3-2-4-8(9)11-7-6-10(13)12-14/h2-5,11,14H,6-7H2,1H3,(H,12,13)
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n/an/a 1.64E+3n/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) (...)
BDBM50449778
PNG
(CHEMBL4161835)
Show SMILES ONC(=O)CNc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C8H8Cl2N2O2/c9-5-1-2-6(10)7(3-5)11-4-8(13)12-14/h1-3,11,14H,4H2,(H,12,13)
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n/an/a 1.64E+3n/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) (...)
BDBM50602005
PNG
(CHEMBL5188176)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Cl)cc1
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n/an/a 1.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129043
BindingDB Entry DOI: 10.7270/Q23N27G1
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) (...)
BDBM50449775
PNG
(CHEMBL4165682)
Show SMILES ONC(=O)CNc1ccc(Br)cc1
Show InChI InChI=1S/C8H9BrN2O2/c9-6-1-3-7(4-2-6)10-5-8(12)11-13/h1-4,10,13H,5H2,(H,11,12)
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n/an/a 2.01E+3n/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) (...)
BDBM50462883
PNG
(CHEMBL4247924)
Show SMILES ONC(=O)CCOc1cccc(F)c1
Show InChI InChI=1S/C9H10FNO3/c10-7-2-1-3-8(6-7)14-5-4-9(12)11-13/h1-3,6,13H,4-5H2,(H,11,12)
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UniProtKB/SwissProt

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UniChem
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n/an/a 2.05E+3n/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
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