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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'α-galactosidase' AND taxid = 13443   
Target
(Institution)
LigandTarget
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
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50437446
PNG
(CHEMBL2409341)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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/an/an/a



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....


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
α-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
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)

More data for this
Ligand-Target Pair
α-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
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


Citation and Details
More data for this
Ligand-Target Pair