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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'fatmi' and Initial = 'mq'   
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
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071931
PNG
(CHEMBL3407639)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H14ClN3OS/c22-17-11-5-14(6-12-17)13-23-25-20(26)15-7-9-16(10-8-15)21-24-18-3-1-2-4-19(18)27-21/h1-13H,(H,25,26)/b23-13+
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n/an/a 5.31E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071952
PNG
(CHEMBL3407624)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H15N3O2S/c25-18-7-3-1-5-16(18)13-22-24-20(26)14-9-11-15(12-10-14)21-23-17-6-2-4-8-19(17)27-21/h1-13,25H,(H,24,26)/b22-13+
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n/an/a 5.55E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071955
PNG
(CHEMBL3407627)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C21H15N3O3S/c25-16-10-9-15(18(26)11-16)12-22-24-20(27)13-5-7-14(8-6-13)21-23-17-3-1-2-4-19(17)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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n/an/a 5.58E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071938
PNG
(CHEMBL3407617)
Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C22H17N3O3S/c1-28-17-10-11-19(26)16(12-17)13-23-25-21(27)14-6-8-15(9-7-14)22-24-18-4-2-3-5-20(18)29-22/h2-13,26H,1H3,(H,25,27)/b23-13+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071951
PNG
(CHEMBL3407623)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C22H17N3O3S/c1-28-17-11-10-16(19(26)12-17)13-23-25-21(27)14-6-8-15(9-7-14)22-24-18-4-2-3-5-20(18)29-22/h2-13,26H,1H3,(H,25,27)/b23-13+
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n/an/a 6.97E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071922
PNG
(CHEMBL3407632)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H14FN3OS/c22-17-11-5-14(6-12-17)13-23-25-20(26)15-7-9-16(10-8-15)21-24-18-3-1-2-4-19(18)27-21/h1-13H,(H,25,26)/b23-13+
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n/an/a 7.12E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071924
PNG
(CHEMBL3407634)
Show SMILES O=C(N\N=C\c1ccccc1)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H15N3OS/c25-20(24-22-14-15-6-2-1-3-7-15)16-10-12-17(13-11-16)21-23-18-8-4-5-9-19(18)26-21/h1-14H,(H,24,25)/b22-14+
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n/an/a 8.05E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071930
PNG
(CHEMBL3407638)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Br
Show InChI InChI=1S/C21H14BrN3O2S/c22-16-11-13(5-10-18(16)26)12-23-25-20(27)14-6-8-15(9-7-14)21-24-17-3-1-2-4-19(17)28-21/h1-12,26H,(H,25,27)/b23-12+
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n/an/a 8.07E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071929
PNG
(CHEMBL3407637)
Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C21H15N3O4S/c25-14-9-17(26)15(18(27)10-14)11-22-24-20(28)12-5-7-13(8-6-12)21-23-16-3-1-2-4-19(16)29-21/h1-11,25-27H,(H,24,28)/b22-11+
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n/an/a 8.37E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071949
PNG
(CHEMBL3407621)
Show SMILES O=C(N\N=C\c1cccs1)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H13N3OS2/c23-18(22-20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)19-21-16-5-1-2-6-17(16)25-19/h1-12H,(H,22,23)/b20-12+
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n/an/a 8.48E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071933
PNG
(CHEMBL3407641)
Show SMILES Oc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C21H15N3O2S/c25-17-5-3-4-14(12-17)13-22-24-20(26)15-8-10-16(11-9-15)21-23-18-6-1-2-7-19(18)27-21/h1-13,25H,(H,24,26)/b22-13+
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n/an/a 9.21E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071939
PNG
(CHEMBL3407618)
Show SMILES O=C(N\N=C/c1ccccn1)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H14N4OS/c25-19(24-22-13-16-5-3-4-12-21-16)14-8-10-15(11-9-14)20-23-17-6-1-2-7-18(17)26-20/h1-13H,(H,24,25)/b22-13-
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071932
PNG
(CHEMBL3407640)
Show SMILES COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C22H17N3O2S/c1-27-18-6-4-5-15(13-18)14-23-25-21(26)16-9-11-17(12-10-16)22-24-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,25,26)/b23-14+
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071937
PNG
(CHEMBL3407646)
Show SMILES Oc1cc(O)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C21H15N3O3S/c25-16-9-13(10-17(26)11-16)12-22-24-20(27)14-5-7-15(8-6-14)21-23-18-3-1-2-4-19(18)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071950
PNG
(CHEMBL3407622)
Show SMILES Oc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H15N3O3S/c25-17-6-3-4-15(19(17)26)12-22-24-20(27)13-8-10-14(11-9-13)21-23-16-5-1-2-7-18(16)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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n/an/a 1.12E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071940
PNG
(CHEMBL3407620)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H15N3O2S/c25-17-11-5-14(6-12-17)13-22-24-20(26)15-7-9-16(10-8-15)21-23-18-3-1-2-4-19(18)27-21/h1-13,25H,(H,24,26)/b22-13+
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n/an/a 1.13E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071936
PNG
(CHEMBL3407645)
Show SMILES Oc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C21H15N3O3S/c25-16-9-10-18(26)15(11-16)12-22-24-20(27)13-5-7-14(8-6-13)21-23-17-3-1-2-4-19(17)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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n/an/a 1.19E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071953
PNG
(CHEMBL3407625)
Show SMILES O=C(N\N=C/c1ccco1)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H13N3O2S/c23-18(22-20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)19-21-16-5-1-2-6-17(16)25-19/h1-12H,(H,22,23)/b20-12-
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n/an/a 1.28E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106604
PNG
(CHEMBL3600575)
Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c(O)c1
Show InChI InChI=1S/C23H16ClN3O5/c24-14-5-6-19-16(8-14)17(23(32)26-19)7-12-1-3-13(4-2-12)22(31)27-25-11-18-20(29)9-15(28)10-21(18)30/h1-11,28-30H,(H,26,32)(H,27,31)/b17-7+,25-11+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071954
PNG
(CHEMBL3407626)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1O
Show InChI InChI=1S/C21H15N3O3S/c25-17-10-5-13(11-18(17)26)12-22-24-20(27)14-6-8-15(9-7-14)21-23-16-3-1-2-4-19(16)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071923
PNG
(CHEMBL3407633)
Show SMILES COc1cc(OC)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C23H19N3O3S/c1-28-18-11-15(12-19(13-18)29-2)14-24-26-22(27)16-7-9-17(10-8-16)23-25-20-5-3-4-6-21(20)30-23/h3-14H,1-2H3,(H,26,27)/b24-14+
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n/an/a 1.62E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071927
PNG
(CHEMBL3407636)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C22H17N3O2S/c1-27-18-12-6-15(7-13-18)14-23-25-21(26)16-8-10-17(11-9-16)22-24-19-4-2-3-5-20(19)28-22/h2-14H,1H3,(H,25,26)/b23-14+
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n/an/a 1.83E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106617
PNG
(CHEMBL3600581)
Show SMILES Oc1cc(O)cc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1
Show InChI InChI=1S/C23H16ClN3O4/c24-16-5-6-21-19(10-16)20(23(31)26-21)9-13-1-3-15(4-2-13)22(30)27-25-12-14-7-17(28)11-18(29)8-14/h1-12,28-29H,(H,26,31)(H,27,30)/b20-9+,25-12+
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n/an/a 1.92E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
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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n/an/a 2.10E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071921
PNG
(CHEMBL3407630)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H14N4O3S/c26-20(24-22-13-14-5-11-17(12-6-14)25(27)28)15-7-9-16(10-8-15)21-23-18-3-1-2-4-19(18)29-21/h1-13H,(H,24,26)/b22-13+
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n/an/a 2.64E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071925
PNG
(CHEMBL3407635)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Br
Show InChI InChI=1S/C21H13BrFN3OS/c22-16-11-13(5-10-17(16)23)12-24-26-20(27)14-6-8-15(9-7-14)21-25-18-3-1-2-4-19(18)28-21/h1-12H,(H,26,27)/b24-12+
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106622
PNG
(CHEMBL3600576)
Show SMILES C\C(=N/NC(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C24H18ClN3O5/c1-12(22-20(30)10-16(29)11-21(22)31)27-28-23(32)14-4-2-13(3-5-14)8-18-17-9-15(25)6-7-19(17)26-24(18)33/h2-11,29-31H,1H3,(H,26,33)(H,28,32)/b18-8+,27-12+
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n/an/a 3.54E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
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)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106621
PNG
(CHEMBL3600577)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c(O)c1
Show InChI InChI=1S/C23H16ClN3O4/c24-16-6-8-20-18(10-16)19(23(31)26-20)9-13-1-3-14(4-2-13)22(30)27-25-12-15-5-7-17(28)11-21(15)29/h1-12,28-29H,(H,26,31)(H,27,30)/b19-9+,25-12+
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n/an/a 4.29E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071935
PNG
(CHEMBL3407644)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(I)c1O
Show InChI InChI=1S/C22H16IN3O3S/c1-29-17-11-10-15(19(23)20(17)27)12-24-26-21(28)13-6-8-14(9-7-13)22-25-16-4-2-3-5-18(16)30-22/h2-12,27H,1H3,(H,26,28)/b24-12+
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n/an/a 4.48E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106605
PNG
(CHEMBL3600652)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C24H18ClN3O2/c1-15-2-4-17(5-3-15)14-26-28-23(29)18-8-6-16(7-9-18)12-21-20-13-19(25)10-11-22(20)27-24(21)30/h2-14H,1H3,(H,27,30)(H,28,29)/b21-12+,26-14+
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n/an/a 4.91E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106620
PNG
(CHEMBL3600578)
Show SMILES Oc1ccc(O)c(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1
Show InChI InChI=1S/C23H16ClN3O4/c24-16-5-7-20-18(11-16)19(23(31)26-20)9-13-1-3-14(4-2-13)22(30)27-25-12-15-10-17(28)6-8-21(15)29/h1-12,28-29H,(H,26,31)(H,27,30)/b19-9+,25-12+
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n/an/a 5.32E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071934
PNG
(CHEMBL3407643)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)ccc1O
Show InChI InChI=1S/C22H17N3O3S/c1-28-19-12-14(6-11-18(19)26)13-23-25-21(27)15-7-9-16(10-8-15)22-24-17-4-2-3-5-20(17)29-22/h2-13,26H,1H3,(H,25,27)/b23-13+
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n/an/a 5.33E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106618
PNG
(CHEMBL3600580)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1O
Show InChI InChI=1S/C23H16ClN3O4/c24-16-6-7-19-17(11-16)18(23(31)26-19)9-13-1-4-15(5-2-13)22(30)27-25-12-14-3-8-20(28)21(29)10-14/h1-12,28-29H,(H,26,31)(H,27,30)/b18-9+,25-12+
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n/an/a 7.08E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106610
PNG
(CHEMBL3600646)
Show SMILES C\C(=N/NC(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1)c1ccccc1O
Show InChI InChI=1S/C24H18ClN3O3/c1-14(18-4-2-3-5-22(18)29)27-28-23(30)16-8-6-15(7-9-16)12-20-19-13-17(25)10-11-21(19)26-24(20)31/h2-13,29H,1H3,(H,26,31)(H,28,30)/b20-12+,27-14+
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n/an/a 7.18E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106608
PNG
(CHEMBL3600648)
Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1
Show InChI InChI=1S/C24H18ClN3O4/c1-32-18-7-9-22(29)16(11-18)13-26-28-23(30)15-4-2-14(3-5-15)10-20-19-12-17(25)6-8-21(19)27-24(20)31/h2-13,29H,1H3,(H,27,31)(H,28,30)/b20-10+,26-13+
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n/an/a 8.20E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106614
PNG
(CHEMBL3600642)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C23H16ClN3O3/c24-17-7-10-21-19(12-17)20(23(30)26-21)11-14-1-5-16(6-2-14)22(29)27-25-13-15-3-8-18(28)9-4-15/h1-13,28H,(H,26,30)(H,27,29)/b20-11+,25-13+
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n/an/a 8.48E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106607
PNG
(CHEMBL3600649)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C23H15ClN4O4/c24-17-7-10-21-19(12-17)20(23(30)26-21)11-14-1-5-16(6-2-14)22(29)27-25-13-15-3-8-18(9-4-15)28(31)32/h1-13H,(H,26,30)(H,27,29)/b20-11+,25-13+
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n/an/a 9.24E+4n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106615
PNG
(CHEMBL3600583)
Show SMILES Oc1cccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1
Show InChI InChI=1S/C23H16ClN3O3/c24-17-8-9-21-19(12-17)20(23(30)26-21)11-14-4-6-16(7-5-14)22(29)27-25-13-15-2-1-3-18(28)10-15/h1-13,28H,(H,26,30)(H,27,29)/b20-11+,25-13+
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n/an/a 1.02E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106616
PNG
(CHEMBL3600582)
Show SMILES Oc1cccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1O
Show InChI InChI=1S/C23H16ClN3O4/c24-16-8-9-19-17(11-16)18(23(31)26-19)10-13-4-6-14(7-5-13)22(30)27-25-12-15-2-1-3-20(28)21(15)29/h1-12,28-29H,(H,26,31)(H,27,30)/b18-10+,25-12+
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n/an/a 1.09E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106611
PNG
(CHEMBL3600645)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C23H15Cl2N3O2/c24-17-7-3-15(4-8-17)13-26-28-22(29)16-5-1-14(2-6-16)11-20-19-12-18(25)9-10-21(19)27-23(20)30/h1-13H,(H,27,30)(H,28,29)/b20-11+,26-13+
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n/an/a 1.11E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106613
PNG
(CHEMBL3600643)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C23H16ClN3O3/c24-17-9-10-20-18(12-17)19(23(30)26-20)11-14-5-7-15(8-6-14)22(29)27-25-13-16-3-1-2-4-21(16)28/h1-13,28H,(H,26,30)(H,27,29)/b19-11+,25-13+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106619
PNG
(CHEMBL3600579)
Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1O
Show InChI InChI=1S/C23H16ClN3O5/c24-15-5-6-18-16(9-15)17(23(32)26-18)7-12-1-3-13(4-2-12)22(31)27-25-11-14-8-20(29)21(30)10-19(14)28/h1-11,28-30H,(H,26,32)(H,27,31)/b17-7+,25-11+
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n/an/a 1.26E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106612
PNG
(CHEMBL3600644)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C24H18ClN3O3/c1-31-19-9-4-16(5-10-19)14-26-28-23(29)17-6-2-15(3-7-17)12-21-20-13-18(25)8-11-22(20)27-24(21)30/h2-14H,1H3,(H,27,30)(H,28,29)/b21-12+,26-14+
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n/an/a 1.44E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106609
PNG
(CHEMBL3600647)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c(O)c1
Show InChI InChI=1S/C24H18ClN3O4/c1-32-18-8-6-16(22(29)12-18)13-26-28-23(30)15-4-2-14(3-5-15)10-20-19-11-17(25)7-9-21(19)27-24(20)31/h2-13,29H,1H3,(H,27,31)(H,28,30)/b20-10+,26-13+
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n/an/a 1.45E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106606
PNG
(CHEMBL3600650)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)c1
Show InChI InChI=1S/C23H15ClN4O4/c24-17-8-9-21-19(12-17)20(23(30)26-21)11-14-4-6-16(7-5-14)22(29)27-25-13-15-2-1-3-18(10-15)28(31)32/h1-13H,(H,26,30)(H,27,29)/b20-11+,25-13+
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n/an/a 1.49E+5n/an/an/an/an/an/a



Universiti Teknologi MARA Puncak Alam Campus

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay


Bioorg Med Chem Lett 25: 3285-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.069
BindingDB Entry DOI: 10.7270/Q2GT5PZZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
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)O[C@@H](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 |r,t:37|
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 9.06E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50430740
PNG
(CHEMBL2333940 | Cedryl Acetate)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@@]3(C)OC(C)=O |r|
Show InChI InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14+,16-,17+/m1/s1
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n/an/a 9.40E+7n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Eur J Med Chem 62: 764-70 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.036
BindingDB Entry DOI: 10.7270/Q27H1KZX
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50430739
PNG
(CHEMBL1974890 | Cedrol)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O
Show InChI InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
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n/an/a 1.30E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Eur J Med Chem 62: 764-70 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.036
BindingDB Entry DOI: 10.7270/Q27H1KZX
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 4.26E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Eur J Med Chem 62: 764-70 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.036
BindingDB Entry DOI: 10.7270/Q27H1KZX
More data for this
Ligand-Target Pair
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