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PubMed code 26520885

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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 alpha


(Bacillus pasteurii)
BDBM173607
PNG
((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...)
Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)c(OC)cc1Br
Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-8(13)10(19-2)3-7(9)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5-
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PubMed
n/an/a 1.73E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173602
PNG
((Z)-2-((Z)-(1-(2-Bromo-4-nitrophenyl)ethylidene)hy...)
Show SMILES C\C(=N\N=C1/NC(=O)CS1)c1ccc(cc1Br)[N+]([O-])=O
Show InChI InChI=1S/C11H9BrN4O3S/c1-6(14-15-11-13-10(17)5-20-11)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,15,17)/b14-6-
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n/an/a 2.31E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173604
PNG
((Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazo...)
Show SMILES CCOc1ccc(\C=N/N=C2\NC(=O)CS2)cc1OC
Show InChI InChI=1S/C13H15N3O3S/c1-3-19-10-5-4-9(6-11(10)18-2)7-14-16-13-15-12(17)8-20-13/h4-7H,3,8H2,1-2H3,(H,15,16,17)/b14-7-
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n/an/a 5.75E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173597
PNG
((E)-2-((E)-(4-(Benzyloxy)-2-methoxybenzylidene)hyd...)
Show SMILES CN(C)c1ccc(\C=N\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-15(24-11-13-5-3-2-4-6-13)8-7-14(16)10-19-21-18-20-17(22)12-25-18/h2-10H,11-12H2,1H3,(H,20,21,22)/b19-10+
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n/an/a 7.30E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173595
PNG
((E)-2((E)-(3-nitrobenzylidene)hydrazono)thiazolidi...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N=C2/NC(=O)CS2)c1
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
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n/an/a 8.43E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM60584
PNG
((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...)
Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)c(O)c1
Show InChI InChI=1S/C10H9N3O3S/c14-7-2-1-6(8(15)3-7)4-11-13-10-12-9(16)5-17-10/h1-4,14-15H,5H2,(H,12,13,16)/b11-4-
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n/an/a 8.81E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173590
PNG
((E)-2-((E)-(3-Chloro-4-hydroxybenzylideno)thiazoli...)
Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)cc1Cl
Show InChI InChI=1S/C10H8ClN3O2S/c11-7-3-6(1-2-8(7)15)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4-
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n/an/a 9.34E+3n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173593
PNG
((E)-2((E)-(4-Hydroxybenzylidin)hydrazono)thiazolid...)
Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)cc1
Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-7(2-4-8)5-11-13-10-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,13,15)/b11-5-
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n/an/a 1.46E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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PubMed
n/an/a 2.13E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173592
PNG
((E)-2-((E)-(3,5-Dichloro-2-hydroxybenzylidene)hydr...)
Show SMILES Oc1c(Cl)cc(Cl)cc1\C=N\N=C1/NC(=O)CS1
Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+
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n/an/a 2.67E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173589
PNG
((E)-2((E)-(4-Nitrobenzylidene)hydrazono)thiazolidi...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
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n/an/a 2.69E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173594
PNG
((E)-2((E)-(3-Bromo-4,5-dimethoxybenzylidene)hydraz...)
Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(Br)c1OC
Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-7(3-8(13)11(9)19-2)5-14-16-12-15-10(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5+
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n/an/a 3.66E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173596
PNG
((E)-2-((E)-(4-Hyrazoxy-3,5-dimethoxybenzylidene)hy...)
Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(OC)c1O
Show InChI InChI=1S/C12H15N5O4S/c1-19-8-3-7(4-9(20-2)11(8)21-17-13)5-14-16-12-15-10(18)6-22-12/h3-5,17H,6,13H2,1-2H3,(H,15,16,18)/b14-5+
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n/an/a 3.79E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173600
PNG
((E)-2-((E)-(4-(Benzyloxy)benzylidene)hydrazono)thi...)
Show SMILES O=Cc1ccc(\C=N\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C17H15N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-15(9-7-13)22-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,19,20,21)/b18-10+
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n/an/a 3.92E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173601
PNG
((2Z)-2,20(Z)-(1,4-Phenylenebis(methane-1-yl-yliden...)
Show SMILES Cc1ccc(\C=N/N=C2\NC(=O)CS2)cc1
Show InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6-
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n/an/a 4.39E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173588
PNG
((E)-2-((E)-(2-Nitrobenzylidene)hydrazono)thiazolid...)
Show SMILES [O-][N+](=O)c1ccccc1\C=N\N=C1/NC(=O)CS1
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
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n/an/a 4.75E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173598
PNG
(4-((E)-((E)-(4-Oxothiazolidin-2-ylidene)hydrazono)...)
Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)ccc1OCc1ccccc1
Show InChI InChI=1S/C11H9N3O2S/c15-6-9-3-1-8(2-4-9)5-12-14-11-13-10(16)7-17-11/h1-6H,7H2,(H,13,14,16)/b12-5+
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n/an/a 4.85E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173603
PNG
((E)-2-(E)-((1H-Indole-3-yl)methylene)hydrazono)thi...)
Show SMILES O=C1CS\C(N1)=N\N=C/C1C=Nc2ccccc12 |c:11|
Show InChI InChI=1S/C12H10N4OS/c17-11-7-18-12(15-11)16-14-6-8-5-13-10-4-2-1-3-9(8)10/h1-6,8H,7H2,(H,15,16,17)/b14-6-
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n/an/a 5.14E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173591
PNG
((E)-2-((E)-(2,3-Dimethoxybenzylidene)hydrazono)thi...)
Show SMILES COc1cccc(\C=N\N=C2/NC(=O)CS2)c1OC
Show InChI InChI=1S/C12H13N3O3S/c1-17-9-5-3-4-8(11(9)18-2)6-13-15-12-14-10(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+
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n/an/a 5.25E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173599
PNG
((Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazon...)
Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)ccc1OCc1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-14(10-19-21-18-20-17(22)12-25-18)7-8-15(16)24-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21,22)/b19-10-
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n/an/a 6.89E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
Urease subunit alpha


(Bacillus pasteurii)
BDBM173605
PNG
((Z)-2-((Z)-(2,4-Dimethoxybenzoylidine)hydrazono)th...)
Show SMILES COc1ccc(\C=N/N=C2\NC(=O)CS2)c(OC)c1
Show InChI InChI=1S/C12H13N3O3S/c1-17-9-4-3-8(10(5-9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6-
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n/an/a 6.97E+4n/an/an/an/a7.0n/a



Hazara University



Assay Description
This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...


Bioorg Chem 63: 123-31 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.005
BindingDB Entry DOI: 10.7270/Q2H130RM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%