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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'alkadi' and Initial = 'ka'   
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
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222210
PNG
(2,4,5-Trichloro-N'-(4-(5-(2-methoxyphenyl)-1,3...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C22H15Cl3N4O5S/c1-33-18-5-3-2-4-14(18)22-28-27-21(34-22)13-8-6-12(7-9-13)20(30)26-29-35(31,32)19-11-16(24)15(23)10-17(19)25/h2-11,29H,1H3,(H,26,30)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222207
PNG
(N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-y...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C22H16N6O9S/c1-36-18-5-3-2-4-16(18)22-25-24-21(37-22)14-8-6-13(7-9-14)20(29)23-26-38(34,35)19-11-10-15(27(30)31)12-17(19)28(32)33/h2-12,26H,1H3,(H,23,29)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222196
PNG
(2-Fluoro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H17FN4O5S/c1-31-18-8-4-2-6-16(18)22-26-25-21(32-22)15-12-10-14(11-13-15)20(28)24-27-33(29,30)19-9-5-3-7-17(19)23/h2-13,27H,1H3,(H,24,28)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222198
PNG
(4-Fluoro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN4O5S/c1-31-19-5-3-2-4-18(19)22-26-25-21(32-22)15-8-6-14(7-9-15)20(28)24-27-33(29,30)17-12-10-16(23)11-13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222195
PNG
(4-Chloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c1-31-19-5-3-2-4-18(19)22-26-25-21(32-22)15-8-6-14(7-9-15)20(28)24-27-33(29,30)17-12-10-16(23)11-13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222208
PNG
(2,4-Dichloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H16Cl2N4O5S/c1-32-18-5-3-2-4-16(18)22-27-26-21(33-22)14-8-6-13(7-9-14)20(29)25-28-34(30,31)19-11-10-15(23)12-17(19)24/h2-12,28H,1H3,(H,25,29)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222193
PNG
(2-Chloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H17ClN4O5S/c1-31-18-8-4-2-6-16(18)22-26-25-21(32-22)15-12-10-14(11-13-15)20(28)24-27-33(29,30)19-9-5-3-7-17(19)23/h2-13,27H,1H3,(H,24,28)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222209
PNG
(2,5-Dichloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H16Cl2N4O5S/c1-32-18-5-3-2-4-16(18)22-27-26-21(33-22)14-8-6-13(7-9-14)20(29)25-28-34(30,31)19-12-15(23)10-11-17(19)24/h2-12,28H,1H3,(H,25,29)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222205
PNG
(N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-y...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C23H20N4O5S/c1-15-7-3-6-10-20(15)33(29,30)27-24-21(28)16-11-13-17(14-12-16)22-25-26-23(32-22)18-8-4-5-9-19(18)31-2/h3-14,27H,1-2H3,(H,24,28)
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n/an/a 2.43E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222200
PNG
(4-Bromo-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadi...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrN4O5S/c1-31-19-5-3-2-4-18(19)22-26-25-21(32-22)15-8-6-14(7-9-15)20(28)24-27-33(29,30)17-12-10-16(23)11-13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 2.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222197
PNG
(3-Fluoro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H17FN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222194
PNG
(3-Chloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 2.93E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222203
PNG
(N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-y...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N5O7S/c1-33-19-5-3-2-4-18(19)22-25-24-21(34-22)15-8-6-14(7-9-15)20(28)23-26-35(31,32)17-12-10-16(11-13-17)27(29)30/h2-13,26H,1H3,(H,23,28)
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n/an/a 3.84E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222199
PNG
(2-Bromo-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadi...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C22H17BrN4O5S/c1-31-18-8-4-2-6-16(18)22-26-25-21(32-22)15-12-10-14(11-13-15)20(28)24-27-33(29,30)19-9-5-3-7-17(19)23/h2-13,27H,1H3,(H,24,28)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222202
PNG
(N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-y...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C22H17N5O7S/c1-33-18-8-4-2-6-16(18)22-25-24-21(34-22)15-12-10-14(11-13-15)20(28)23-26-35(31,32)19-9-5-3-7-17(19)27(29)30/h2-13,26H,1H3,(H,23,28)
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n/an/a 4.47E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM50008907
PNG
(D-Saccharic Acid 1,4-Lactone)
Show SMILES [H][C@@]1(OC(=O)[C@H](O)[C@H]1O)[C@H](O)C(O)=O |r|
Show InChI InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
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n/an/a 4.84E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222201
PNG
(3-Bromo-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadi...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C22H17BrN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28)
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n/an/a 5.82E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222211
PNG
(4-Methoxy-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1OC
Show InChI InChI=1S/C23H20N4O6S/c1-31-17-11-13-18(14-12-17)34(29,30)27-24-21(28)15-7-9-16(10-8-15)22-25-26-23(33-22)19-5-3-4-6-20(19)32-2/h3-14,27H,1-2H3,(H,24,28)
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n/an/a 7.64E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222204
PNG
(N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-y...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N5O7S/c1-33-19-8-3-2-7-18(19)22-25-24-21(34-22)15-11-9-14(10-12-15)20(28)23-26-35(31,32)17-6-4-5-16(13-17)27(29)30/h2-13,26H,1H3,(H,23,28)
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Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM222206
PNG
(4-methyl-N'-(4-(5-(2-methoxyphenyl)-1,3,4-oxad...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-15-7-13-18(14-8-15)33(29,30)27-24-21(28)16-9-11-17(12-10-16)22-25-26-23(32-22)19-5-3-4-6-20(19)31-2/h3-14,27H,1-2H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.81E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#...


Bioorg Chem 71: 86-96 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.015
BindingDB Entry DOI: 10.7270/Q2319TQN
More data for this
Ligand-Target Pair