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Compile Data Set for Download or QSAR

Found 49 hits of ic50 data for polymerid = 5862   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 (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|
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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
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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
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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|
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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|
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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|
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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
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573738
PNG
(CHEMBL4874620)
Show SMILES Cl.CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 8.30E+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))
BDBM50573741
PNG
(CHEMBL4873807)
Show SMILES Cl.CCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 9.80E+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))
BDBM50318560
PNG
(CHEMBL1083795 | N-decylaminocyclitol)
Show SMILES CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H33NO5/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)14(20)16(22)15(21)13(11)19/h11-22H,2-10H2,1H3/t11-,12-,13+,14+,15-,16-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341333
PNG
(CHEMBL1766470 | rel-(1R,2S,4R,5S)-6-[[1-(3,3-Diphe...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H30N4O5/c29-20-19(21(30)23(32)24(33)22(20)31)25-13-17-14-28(27-26-17)12-11-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18-25,29-33H,11-13H2/t19-,20-,21+,22+,23-,24-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341332
PNG
(CHEMBL1766350 | rel-(1R,2S,4R,5S)-6-[(1-(3,5-Bis(b...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C30H34N4O7/c35-26-25(27(36)29(38)30(39)28(26)37)31-14-22-16-34(33-32-22)15-21-11-23(40-17-19-7-3-1-4-8-19)13-24(12-21)41-18-20-9-5-2-6-10-20/h1-13,16,25-31,35-39H,14-15,17-18H2/t25-,26-,27+,28+,29-,30-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341334
PNG
(CHEMBL1766473 | rel-(1R,2S,4R,5S)-6-[(1-Adamantyl-...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18|
Show InChI InChI=1S/C20H32N4O5/c25-15-14(16(26)18(28)19(29)17(15)27)21-7-13-8-24(23-22-13)9-20-4-10-1-11(5-20)3-12(2-10)6-20/h8,10-12,14-19,21,25-29H,1-7,9H2/t10?,11?,12?,14-,15-,16+,17+,18-,19-,20?
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341335
PNG
(CHEMBL1766474 | rel-(1R,2S,4R,5S)-6-[[1-(4-Cyclohe...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCCC3CCCCC3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H34N4O5/c24-15-14(16(25)18(27)19(28)17(15)26)20-10-13-11-23(22-21-13)9-5-4-8-12-6-2-1-3-7-12/h11-12,14-20,24-28H,1-10H2/t14-,15-,16+,17+,18-,19-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50318559
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50318562
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Decyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-9-10-23-12-13(21-22-23)11-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341324
PNG
(CHEMBL1766482 | rel-(1R,2S,4R,5S)-6-[[1-Undecyl-1H...)
Show SMILES CCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C20H38N4O5/c1-2-3-4-5-6-7-8-9-10-11-24-13-14(22-23-24)12-21-15-16(25)18(27)20(29)19(28)17(15)26/h13,15-21,25-29H,2-12H2,1H3/t15-,16-,17+,18+,19-,20-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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/t12-,13+,14-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50341331
PNG
(CHEMBL1766489 | rel-(1R,2S,4R,5S)-6-[[1-(10-Hydrox...)
Show SMILES OCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O6/c24-10-8-6-4-2-1-3-5-7-9-23-12-13(21-22-23)11-20-14-15(25)17(27)19(29)18(28)16(14)26/h12,14-20,24-29H,1-11H2/t14-,15-,16+,17+,18-,19-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456588
PNG
(CHEMBL4208219)
Show SMILES O[C@@H]1CN[C@H](CCn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
Show InChI InChI=1S/C14H18N4O2/c19-13-8-15-11(14(13)20)6-7-18-9-12(16-17-18)10-4-2-1-3-5-10/h1-5,9,11,13-15,19-20H,6-8H2/t11-,13-,14+/m1/s1
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n/an/a 1.07E+5n/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))
BDBM50573740
PNG
(CHEMBL4855098)
Show SMILES Cl.CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.09E+5n/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))
BDBM50456592
PNG
(CHEMBL4216741)
Show SMILES O[C@@H]1CN[C@H](CN=[N+]=[N-])[C@@H]1O |r|
Show InChI InChI=1S/C5H10N4O2/c6-9-8-1-3-5(11)4(10)2-7-3/h3-5,7,10-11H,1-2H2/t3-,4-,5+/m1/s1
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n/an/a 1.27E+5n/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))
BDBM50320825
PNG
(6-O-beta-D-glucopyranosyl-2,3-dideoxy-beta-1-C-eth...)
Show SMILES CC[C@H]1CC[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N1 |r|
Show InChI InChI=1S/C14H27NO7/c1-2-7-3-4-9(17)8(15-7)6-21-14-13(20)12(19)11(18)10(5-16)22-14/h7-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12-,13+,14+/m0/s1
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n/an/a 3.18E+5n/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))
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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n/an/a 3.92E+5n/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 (Coffee beans))
BDBM50234562
PNG
(1,4-Dideoxy-1,4-imino-(hydroxyethyliminiumyl)-D-ar...)
Show SMILES OCCN1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C7H15NO4/c9-2-1-8-3-6(11)7(12)5(8)4-10/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1KN6
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50358322
PNG
(CHEMBL1922580)
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>1.00E+6n/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