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Compile Data Set for Download or QSAR

Found 25 hits of ki 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) (...)
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) (...)
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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43n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Helicobacter pylori ATCC 43504 urease assessed as enzyme-inhibitor complex using urea as substrate preincubated for 1.5 hrs


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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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) (...)
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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54n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Helicobacter pylori ATCC 43504 urease assessed as enzyme-substrate-inhibitor complex using urea as substrate preincubated fo...


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) (...)
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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60.2n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as enzyme-substrate-inhibitor complex constant preincubate...


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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65n/an/an/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) (...)
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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152n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as enzyme-substrate-inhibitor complex constant preincubate...


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) (...)
BDBM50534783
PNG
(CHEMBL4575318)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H28N2O6Se2/c1-31-21(27)13-7-15-25-23(29)17-9-3-5-11-19(17)33-34-20-12-6-4-10-18(20)24(30)26-16-8-14-22(28)32-2/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,25,29)(H,26,30)
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184n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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) (...)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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226n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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) (...)
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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314n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as enzyme-substrate-inhibitor complex constant preincubate...


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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372n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-urea-inhibitor complex by non-linear fitt...


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) (...)
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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404n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-inhibitor complex by non-linear fitting a...


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) (...)
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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441n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hr...


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) (...)
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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641n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-Burk/Dixon plot analysis


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) (...)
BDBM50197347
PNG
(Ebselen Diselenide)
Show SMILES O=C(Nc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H20N2O2Se2/c29-25(27-19-11-3-1-4-12-19)21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)26(30)28-20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
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651n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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) (...)
BDBM50534782
PNG
(CHEMBL4471428)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C20H20N2O6Se2/c1-27-17(23)11-21-19(25)13-7-3-5-9-15(13)29-30-16-10-6-4-8-14(16)20(26)22-12-18(24)28-2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
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915n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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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1.20E+3n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-urea-inhibitor complex by non-linear fitt...


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) (...)
BDBM50602006
PNG
(CHEMBL5209436)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1
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1.20E+3n/an/an/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) (...)
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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1.56E+3n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hr...


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) (...)
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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1.65E+3n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hr...


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) (...)
BDBM50534776
PNG
(CHEMBL4539240)
Show SMILES [#6]-[#6]-[#6](-[#6]-[#8])-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6](-[#6]-[#6])-[#6]-[#8]
Show InChI InChI=1S/C22H28N2O4Se2/c1-3-15(13-25)23-21(27)17-9-5-7-11-19(17)29-30-20-12-8-6-10-18(20)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)
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3.26E+3n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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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4.74E+3n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-inhibitor complex by non-linear fitting a...


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) (...)
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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9.34E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
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)
PDB

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MCE
KEGG
MMDB
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Article
PubMed
9.60E+4n/an/an/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 after 120 mins by Berthelot colorimetric analysis


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
3D
3D Structure (crystal)
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM24961
PNG
(Urea)
Show SMILES NC(N)=O
Show InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
PDB

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MCE
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Article
PubMed
6.47E+6n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Substrate inhibition of Helicobacter pylori urease in presence of >4 mM urea 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