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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' AND taxid = 13443   
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
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260444
PNG
(CHEMBL4073111)
Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1
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8n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50163440
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r|
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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13n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.084
BindingDB Entry DOI: 10.7270/Q24Q7VZN
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260443
PNG
(CHEMBL4096086)
Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1
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62n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50321618
PNG
(CHEMBL1172470 | N-(N'-Biotinylaminoethyl)-aminocar...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12 |r|
Show InChI InChI=1S/C24H43N5O7S/c30-13-16-22(34)23(35)17(31)12-29(16)11-5-1-2-7-19(32)25-9-10-26-20(33)8-4-3-6-18-21-15(14-37-18)27-24(36)28-21/h15-18,21-23,30-31,34-35H,1-14H2,(H,25,32)(H,26,33)(H2,27,28,36)/t15?,16-,17+,18?,21?,22+,23-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.084
BindingDB Entry DOI: 10.7270/Q24Q7VZN
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50182795
PNG
(5-(dimethylamino)-N-(6-((2R,3S,4R,5S)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23+,24-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50375511
PNG
(CHEMBL406973)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50520994
PNG
(CHEMBL4529797)
Show SMILES OC[C@H]1NC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO5/c9-2-3-5(11)7(13)6(12)4(10)1-8-3/h3-13H,1-2H2/t3-,4+,5-,6+,7+/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase


Eur J Med Chem 162: 465-494 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.031
BindingDB Entry DOI: 10.7270/Q2154MGW
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50437446
PNG
(CHEMBL2409341)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase


Bioorg Med Chem 21: 4803-12 (2013)


Article DOI: 10.1016/j.bmc.2013.03.035
BindingDB Entry DOI: 10.7270/Q2GQ7053
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50236278
PNG
(CHEMBL4077472)
Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry


J Med Chem 60: 1829-1842 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01550
BindingDB Entry DOI: 10.7270/Q2K939S5
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50236280
PNG
(CHEMBL4100971)
Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry


J Med Chem 60: 1829-1842 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01550
BindingDB Entry DOI: 10.7270/Q2K939S5
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50185229
PNG
((2R,3S,4R,6R)-6-heptyl-2-(hydroxymethyl)piperidine...)
Show SMILES CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1
Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-8-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1
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1.41E+5n/an/an/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of green coffee alpha galactosidase


Bioorg Med Chem Lett 16: 3262-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.035
BindingDB Entry DOI: 10.7270/Q23F4P7Z
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260445
PNG
(CHEMBL4064761)
Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1
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3.64E+5n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50185230
PNG
((2R,3S,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1
Show InChI InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
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7.21E+5n/an/an/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of green coffee alpha galactosidase


Bioorg Med Chem Lett 16: 3262-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.035
BindingDB Entry DOI: 10.7270/Q23F4P7Z
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50163440
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r|
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 3n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260444
PNG
(CHEMBL4073111)
Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260443
PNG
(CHEMBL4096086)
Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 780n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50320826
PNG
(CHEMBL1163255 | beta-1-C-Butyl-1-deoxygalactonojir...)
Show SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C |r|
Show InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
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n/an/a 1.20E+3n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108224
PNG
(N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12
Show InChI InChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)
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n/an/a 1.48E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108221
PNG
(5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]- 5H...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12
Show InChI InChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2
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n/an/a 1.66E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50320827
PNG
(CHEMBL1163562 | beta-1-C-butenyl-1-deoxygalactonoj...)
Show SMILES C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N[C@H]1CCC=C |r|
Show InChI InChI=1S/C11H21NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h3,7-15H,1,4-6H2,2H3/t7-,8-,9+,10+,11-/m0/s1
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n/an/a 2.00E+3n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573744
PNG
(CHEMBL4868336)
Show SMILES Cl.CCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108223
PNG
(2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)- 5H...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12
Show InChI InChI=1S/C17H21FN2O4/c18-11-6-4-10(5-7-11)2-1-3-12-8-20-13(9-21)14(22)15(23)16(24)17(20)19-12/h4-8,13-16,21-24H,1-3,9H2
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n/an/a 3.75E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108219
PNG
(5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]- 5H...)
Show SMILES Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
Show InChI InChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3
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n/an/a 4.48E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Hokko Chemical Industry Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha-galactosidase by spectrometry


Bioorg Med Chem Lett 21: 7189-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.067
BindingDB Entry DOI: 10.7270/Q2RF5VF0
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108225
PNG
(2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5- (hydr...)
Show SMILES CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)
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n/an/a 4.71E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108220
PNG
(5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]- 5...)
Show SMILES COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
Show InChI InChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3
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n/an/a 4.90E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50185228
PNG
((+)-5-deoxyadeenophorine | CHEMBL380089)
Show SMILES CC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1
Show InChI InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of green coffee alpha galactosidase


Bioorg Med Chem Lett 16: 3262-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.035
BindingDB Entry DOI: 10.7270/Q23F4P7Z
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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n/an/a 7.29E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573734
PNG
(CHEMBL4856375)
Show SMILES Cl.C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 9.49E+3n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573745
PNG
(CHEMBL4873613)
Show SMILES Cl.CCCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108222
PNG
(2-[3-(4-cyclohexylphenyl)propyl]-5-(hydroxymethyl)...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12
Show InChI InChI=1S/C23H32N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h9-13,16,19-22,26-29H,1-8,14H2
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n/an/a 1.14E+4n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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n/an/a 1.25E+4n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108217
PNG
(2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...)
Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3
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n/an/a 1.28E+4n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456585
PNG
(CHEMBL4218664)
Show SMILES COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C14H18N4O3/c1-21-10-4-2-9(3-5-10)11-7-18(17-16-11)8-12-14(20)13(19)6-15-12/h2-5,7,12-15,19-20H,6,8H2,1H3/t12-,13-,14+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456590
PNG
(CHEMBL4206239)
Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
Show InChI InChI=1S/C13H16N4O2/c18-12-6-14-11(13(12)19)8-17-7-10(15-16-17)9-4-2-1-3-5-9/h1-5,7,11-14,18-19H,6,8H2/t11-,12-,13+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456587
PNG
(CHEMBL4209809)
Show SMILES OCc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C14H18N4O3/c19-8-9-1-3-10(4-2-9)11-6-18(17-16-11)7-12-14(21)13(20)5-15-12/h1-4,6,12-15,19-21H,5,7-8H2/t12-,13-,14+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573742
PNG
(CHEMBL4863963)
Show SMILES Cl.CCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
UniProtKB/SwissProt

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UniChem

Similars

Article
PubMed
n/an/a 1.61E+4n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456586
PNG
(CHEMBL4205735)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H20N4O3/c1-25-14-5-4-11-6-13(3-2-12(11)7-14)15-9-22(21-20-15)10-16-18(24)17(23)8-19-16/h2-7,9,16-19,23-24H,8,10H2,1H3/t16-,17-,18+/m1/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573743
PNG
(CHEMBL4864234)
Show SMILES Cl.CCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573737
PNG
(CHEMBL4854197)
Show SMILES Cl.CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573739
PNG
(CHEMBL4858697)
Show SMILES Cl.CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
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