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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'abdullah' and Initial = 'n'   
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 (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092444
PNG
(CHEMBL3586121)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O
Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092351
PNG
(CHEMBL3586128)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
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n/an/a 3.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092460
PNG
(CHEMBL3586119)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-6-8-16(9-7-15)21-26-27-22(28-21)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,24,25)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092465
PNG
(CHEMBL3586113)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C23H18N4O2/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(29-22)17-4-3-5-18(28)12-17/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 8.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175324
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20N4O4/c1-12-7-17-18(8-13(12)2)26-22(25-17)15-3-5-16(6-4-15)23(31)27-24-11-14-9-19(28)21(30)20(29)10-14/h3-11,28-30H,1-2H3,(H,25,26)(H,27,31)/b24-11+
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175317
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H22N4O3/c1-14-10-20-21(11-15(14)2)27-23(26-20)16-4-6-17(7-5-16)24(30)28-25-13-18-12-19(31-3)8-9-22(18)29/h4-13,29H,1-3H3,(H,26,27)(H,28,30)/b25-13+
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n/an/a 8.44E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175315
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c(O)c1
Show InChI InChI=1S/C24H22N4O3/c1-14-10-20-21(11-15(14)2)27-23(26-20)16-4-6-17(7-5-16)24(30)28-25-13-18-8-9-19(31-3)12-22(18)29/h4-13,29H,1-3H3,(H,26,27)(H,28,30)/b25-13+
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n/an/a 8.44E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175309
PNG
((E)-N'-(2,5-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)ccc1O
Show InChI InChI=1S/C23H20N4O3/c1-13-9-19-20(10-14(13)2)26-22(25-19)15-3-5-16(6-4-15)23(30)27-24-12-17-11-18(28)7-8-21(17)29/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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n/an/a 8.74E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175311
PNG
((E)-N'-(2,4-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1O
Show InChI InChI=1S/C23H20N4O3/c1-13-9-19-20(10-14(13)2)26-22(25-19)15-3-5-16(6-4-15)23(30)27-24-12-17-7-8-18(28)11-21(17)29/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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n/an/a 8.74E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175310
PNG
((E)-N'-(2,3-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(O)c1O
Show InChI InChI=1S/C23H20N4O3/c1-13-10-18-19(11-14(13)2)26-22(25-18)15-6-8-16(9-7-15)23(30)27-24-12-17-4-3-5-20(28)21(17)29/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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n/an/a 9.99E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092464
PNG
(CHEMBL3586114)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N5O3/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(31-22)17-4-3-5-18(12-17)28(29)30/h3-12H,1-2H3,(H,24,25)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175312
PNG
((E)-N'-(3,4-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20N4O3/c1-13-9-18-19(10-14(13)2)26-22(25-18)16-4-6-17(7-5-16)23(30)27-24-12-15-3-8-20(28)21(29)11-15/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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n/an/a 1.25E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092461
PNG
(CHEMBL3586118)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-3-5-16(6-4-15)22-27-28-23(29-22)17-7-9-18(24)10-8-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175329
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H22N4O2/c1-15-11-21-22(12-16(15)2)27-23(26-21)18-7-9-19(10-8-18)24(29)28-25-14-17-5-4-6-20(13-17)30-3/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092463
PNG
(CHEMBL3586115)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092459
PNG
(CHEMBL3586120)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C23H17FN4O/c1-13-10-19-20(11-14(13)2)26-21(25-19)15-6-8-16(9-7-15)22-27-28-23(29-22)17-4-3-5-18(24)12-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175320
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C23H20N4O2/c1-14-11-19-20(12-15(14)2)26-22(25-19)16-7-9-17(10-8-16)23(29)27-24-13-18-5-3-4-6-21(18)28/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
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n/an/a 1.82E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175321
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C24H22N4O/c1-15-4-6-18(7-5-15)14-25-28-24(29)20-10-8-19(9-11-20)23-26-21-12-16(2)17(3)13-22(21)27-23/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
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n/an/a 1.83E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092462
PNG
(CHEMBL3586116)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.92E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175330
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H19N5O3/c1-14-11-20-21(12-15(14)2)26-22(25-20)17-5-7-18(8-6-17)23(29)27-24-13-16-3-9-19(10-4-16)28(30)31/h3-13H,1-2H3,(H,25,26)(H,27,29)/b24-13+
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n/an/a 1.94E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092349
PNG
(CHEMBL3586129)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C20H17Cl2F2N3O2/c21-15-9-25-10-16(22)13(15)7-17-12-5-6-18(29-20(23)24)19(14(12)8-26-27-17)28-11-3-1-2-4-11/h5-6,8-11,20H,1-4,7H2
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n/an/a 2.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175313
PNG
((E)-N'-(3-chlorobenzylidene)-4-(5,6-dimethyl-1...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-14-10-20-21(11-15(14)2)27-22(26-20)17-6-8-18(9-7-17)23(29)28-25-13-16-4-3-5-19(24)12-16/h3-13H,1-2H3,(H,26,27)(H,28,29)/b25-13+
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n/an/a 2.24E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175319
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H22N4O/c1-15-5-4-6-18(11-15)14-25-28-24(29)20-9-7-19(8-10-20)23-26-21-12-16(2)17(3)13-22(21)27-23/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
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n/an/a 2.35E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175327
PNG
((Z)-N'-(4-chlorobenzylidene)-4-(5,6-dimethyl-1...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C/c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN4O/c1-14-11-20-21(12-15(14)2)27-22(26-20)17-5-7-18(8-6-17)23(29)28-25-13-16-3-9-19(24)10-4-16/h3-13H,1-2H3,(H,26,27)(H,28,29)/b25-13-
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n/an/a 2.48E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175318
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C24H22N4O/c1-15-6-4-5-7-20(15)14-25-28-24(29)19-10-8-18(9-11-19)23-26-21-12-16(2)17(3)13-22(21)27-23/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
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n/an/a 2.48E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175323
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccccn1
Show InChI InChI=1S/C22H19N5O/c1-14-11-19-20(12-15(14)2)26-21(25-19)16-6-8-17(9-7-16)22(28)27-24-13-18-5-3-4-10-23-18/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+
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n/an/a 2.57E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175306
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20N4O2/c1-14-11-20-21(12-15(14)2)26-22(25-20)17-5-7-18(8-6-17)23(29)27-24-13-16-3-9-19(28)10-4-16/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175314
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1O
Show InChI InChI=1S/C24H22N4O3/c1-14-10-19-20(11-15(14)2)27-23(26-19)17-5-7-18(8-6-17)24(30)28-25-13-16-4-9-22(31-3)21(29)12-16/h4-13,29H,1-3H3,(H,26,27)(H,28,30)/b25-13+
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n/an/a 2.90E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092433
PNG
(CHEMBL3586123)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N5O3/c1-13-11-19-20(12-14(13)2)25-21(24-19)15-3-5-16(6-4-15)22-26-27-23(31-22)17-7-9-18(10-8-17)28(29)30/h3-12H,1-2H3,(H,24,25)
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n/an/a 3.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092352
PNG
(CHEMBL3586126)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClN4O/c1-13-10-19-20(11-14(13)2)26-21(25-19)15-6-8-16(9-7-15)22-27-28-23(29-22)17-4-3-5-18(24)12-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175326
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccco1
Show InChI InChI=1S/C21H18N4O2/c1-13-10-18-19(11-14(13)2)24-20(23-18)15-5-7-16(8-6-15)21(26)25-22-12-17-4-3-9-27-17/h3-12H,1-2H3,(H,23,24)(H,25,26)/b22-12+
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n/an/a 3.21E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092354
PNG
(CHEMBL3586124)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-6-12-9-24-25-18(7-15-16(21)10-23-11-17(15)22)14(12)8-20(19)27-13-4-2-3-5-13/h6,8-11,13H,2-5,7H2,1H3
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n/an/a 3.21E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175307
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(O)c1
Show InChI InChI=1S/C23H20N4O2/c1-14-10-20-21(11-15(14)2)26-22(25-20)17-6-8-18(9-7-17)23(29)27-24-13-16-4-3-5-19(28)12-16/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
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n/an/a 3.25E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175325
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C24H22N4O2/c1-15-12-21-22(13-16(15)2)27-23(26-21)18-6-8-19(9-7-18)24(29)28-25-14-17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
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n/an/a 3.26E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175322
PNG
((E)-N'-(3-bromo-4-hydroxybenzylidene)-4-(5,6-d...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(Br)c1
Show InChI InChI=1S/C23H19BrN4O2/c1-13-9-19-20(10-14(13)2)27-22(26-19)16-4-6-17(7-5-16)23(30)28-25-12-15-3-8-21(29)18(24)11-15/h3-12,29H,1-2H3,(H,26,27)(H,28,30)/b25-12+
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n/an/a 3.45E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092353
PNG
(CHEMBL3586125)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C24H19Cl2N3O2/c1-30-23-7-6-17-19(24(23)31-16-8-14-4-2-3-5-15(14)9-16)11-28-29-22(17)10-18-20(25)12-27-13-21(18)26/h2-7,11-13,16H,8-10H2,1H3
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n/an/a 4.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175328
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccnc1
Show InChI InChI=1S/C22H19N5O/c1-14-10-19-20(11-15(14)2)26-21(25-19)17-5-7-18(8-6-17)22(28)27-24-13-16-4-3-9-23-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092466
PNG
(CHEMBL3586112)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C25H22N4O3/c1-14-11-19-20(12-15(14)2)27-23(26-19)16-5-7-17(8-6-16)24-28-29-25(32-24)18-9-10-21(30-3)22(13-18)31-4/h5-13H,1-4H3,(H,26,27)
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n/an/a 4.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50008907
PNG
(D-SACCHARIC ACID 1,4-LACTONE | D-Saccharic Acid 1,...)
Show SMILES O[C@@H]([C@H]1OC(=O)[C@H](O)[C@H]1O)C(O)=O
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

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175316
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccncc1
Show InChI InChI=1S/C22H19N5O/c1-14-11-19-20(12-15(14)2)26-21(25-19)17-3-5-18(6-4-17)22(28)27-24-13-16-7-9-23-10-8-16/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+
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n/an/a 1.48E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175331
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C23H19FN4O/c1-14-10-20-21(11-15(14)2)27-22(26-20)17-6-8-18(9-7-17)23(29)28-25-13-16-4-3-5-19(24)12-16/h3-13H,1-2H3,(H,26,27)(H,28,29)/b25-13+
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n/an/a 1.58E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM175308
PNG
((E)-N'-(3,4-dimethoxybenzylidene)-4-(5,6-dimet...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1OC
Show InChI InChI=1S/C25H24N4O3/c1-15-11-20-21(12-16(15)2)28-24(27-20)18-6-8-19(9-7-18)25(30)29-26-14-17-5-10-22(31-3)23(13-17)32-4/h5-14H,1-4H3,(H,27,28)(H,29,30)/b26-14+
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n/an/a 1.80E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 7.75E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...


Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair