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Compile Data Set for Download or QSAR

Found 17 hits of ph data with Target = 'α-galactosidase'   
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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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
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/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