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PubMed code 26119990

Compile data set for download or QSAR
Found 19 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


(Canavalia ensiformis (Jack bean))
BDBM152597
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-nitrophenyl...)
Show SMILES CC(=NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14N4O3S/c1-11(16-9-12-5-2-3-8-15(12)24-16)19-20-17(25)18-13-6-4-7-14(10-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+
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n/an/a 77n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152587
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-phenylhydrazin...)
Show SMILES CC(=NNC(=S)Nc1ccccc1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H15N3OS/c1-12(16-11-13-7-5-6-10-15(13)21-16)19-20-17(22)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,20,22)/b19-12+
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n/an/a 89n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152600
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-methoxyphen...)
Show SMILES COc1cccc(NC(=S)NN=C(C)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C18H17N3O2S/c1-12(17-10-13-6-3-4-9-16(13)23-17)20-21-18(24)19-14-7-5-8-15(11-14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+
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n/an/a 102n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152591
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-fluoropheny...)
Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-4-2-3-5-15(12)22-16)20-21-17(23)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 177n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152598
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-nitrophenyl...)
Show SMILES CC(=NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14N4O3S/c1-11(16-10-12-4-2-3-5-15(12)24-16)19-20-17(25)18-13-6-8-14(9-7-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+
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n/an/a 181n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM57806
PNG
(1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-meth...)
Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1
Show InChI InChI=1S/C18H17N3OS/c1-12-6-5-8-15(10-12)19-18(23)21-20-13(2)17-11-14-7-3-4-9-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)
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n/an/a 283n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152602
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methylpheny...)
Show SMILES CC(=NNC(=S)Nc1ccccc1C)c1cc2ccccc2o1
Show InChI InChI=1S/C18H17N3OS/c1-12-7-3-5-9-15(12)19-18(23)21-20-13(2)17-11-14-8-4-6-10-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)/b20-13+
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n/an/a 314n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152593
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-fluoropheny...)
Show SMILES CC(=NNC(=S)Nc1ccccc1F)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 321n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152594
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-difluorop...)
Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2o1
Show InChI InChI=1S/C17H13F2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+
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n/an/a 387n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152596
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-bromophenyl...)
Show SMILES CC(=NNC(=S)Nc1ccccc1Br)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 564n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152589
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-dichlorop...)
Show SMILES CC(=NNC(=S)Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1
Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+
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n/an/a 592n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152603
PNG
(N-Allyl-2-(1-(benzofuran-2-yl)ethylidene)hydrazine...)
Show SMILES CC(=NNC(=S)NCC=C)c1cc2ccccc2o1
Show InChI InChI=1S/C14H15N3OS/c1-3-8-15-14(19)17-16-10(2)13-9-11-6-4-5-7-12(11)18-13/h3-7,9H,1,8H2,2H3,(H2,15,17,19)/b16-10+
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n/an/a 694n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152588
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-chloropheny...)
Show SMILES CC(=NNC(=S)Nc1cccc(Cl)c1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14ClN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152592
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-fluoropheny...)
Show SMILES CC(=NNC(=S)Nc1cccc(F)c1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14FN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152590
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,5-dichlorop...)
Show SMILES CC(=NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc2ccccc2o1
Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-9-12(18)6-7-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+
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n/an/a 2.01E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152599
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-methoxyphen...)
Show SMILES COc1ccc(NC(=S)NN=C(C)c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H17N3O2S/c1-12(17-11-13-5-3-4-6-16(13)23-17)20-21-18(24)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H2,19,21,24)/b20-12+
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n/an/a 2.61E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM114552
PNG
(1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-...)
Show SMILES CC(=NNC(=S)Nc1ccc(C)cc1)c1cc2ccccc2o1
Show InChI InChI=1S/C18H17N3OS/c1-12-7-9-15(10-8-12)19-18(23)21-20-13(2)17-11-14-5-3-4-6-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152595
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-bromophenyl...)
Show SMILES CC(=NNC(=S)Nc1cccc(Br)c1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM152601
PNG
(2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methoxyphen...)
Show SMILES COc1ccccc1NC(=S)NN=C(C)c1cc2ccccc2o1
Show InChI InChI=1S/C18H17N3O2S/c1-12(17-11-13-7-3-5-9-15(13)23-17)20-21-18(24)19-14-8-4-6-10-16(14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
The mixture of this enzyme inhibition assay was composed of 10 無 of enzyme (5 U/mL) and 10 無 of each test compound in the series (3a-3s) in 40 無 b...


Bioorg Chem 61: 51-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2CV4GFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%