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Compile Data Set for Download or QSAR

Found 160 hits of ic50 data for polymerid = 5861   
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
β-galactosidase


(Bos taurus (Bovine))
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=1/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 0.00400n/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
β-galactosidase


(Bos taurus (Bovine))
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=1/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 1n/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
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261433
PNG
(CHEMBL3359124)
Show SMILES OC[C@H]1N\C(=N/Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C13H17FN2O4/c14-8-3-1-7(2-4-8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/s2
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n/an/a 9.10n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261434
PNG
(CHEMBL3359668)
Show SMILES OC[C@H]1N\C(=N/Cc2cccc(F)c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C13H17FN2O4/c14-8-3-1-2-7(4-8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/s2
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n/an/a 9.40n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261421
PNG
(CHEMBL3359681)
Show SMILES OC[C@H]1N\C(=N/CC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C13H24N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h8-12,16-19H,1-7H2,(H,14,15)/t9-,10+,11+,12-/s2
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n/an/a 12n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261423
PNG
(CHEMBL3359123)
Show SMILES OC[C@H]1N\C(=N/Cc2ccc(cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C14H17F3N2O4/c15-14(16,17)8-3-1-7(2-4-8)5-18-13-12(23)11(22)10(21)9(6-20)19-13/h1-4,9-12,20-23H,5-6H2,(H,18,19)/t9-,10+,11+,12-/s2
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n/an/a 15n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261436
PNG
(CHEMBL3359671)
Show SMILES Cc1cccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1/C14H20N2O4/c1-8-3-2-4-9(5-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/s2
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n/an/a 16n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261437
PNG
(CHEMBL3359669)
Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11+,12-/s2
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n/an/a 19n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261439
PNG
(CHEMBL3815031)
Show SMILES CCCCC(CC)CNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C14H28N2O4/c1-3-5-6-9(4-2)7-15-14-13(20)12(19)11(18)10(8-17)16-14/h9-13,17-20H,3-8H2,1-2H3,(H,15,16)/t9?,10-,11+,12+,13-/s2
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n/an/a 22n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261419
PNG
(CHEMBL3359674)
Show SMILES CCCCCCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C13H26N2O4/c1-2-3-4-5-6-7-14-13-12(19)11(18)10(17)9(8-16)15-13/h9-12,16-19H,2-8H2,1H3,(H,14,15)/t9-,10+,11+,12-/s2
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n/an/a 24n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261438
PNG
(CHEMBL3359122)
Show SMILES COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C14H20N2O5/c1-21-9-4-2-8(3-5-9)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/s2
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n/an/a 26n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
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=1/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 37n/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
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261417
PNG
(CHEMBL3359677)
Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/s2
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n/an/a 41n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261418
PNG
(CHEMBL4091969)
Show SMILES CCCCCCCCCCCNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C17H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-17-16(23)15(22)14(21)13(12-20)19-17/h13-16,20-23H,2-12H2,1H3,(H,18,19)/t13-,14+,15+,16-/s2
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n/an/a 43n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261443
PNG
(CHEMBL3359667)
Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2F)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C13H17FN2O4/c14-8-4-2-1-3-7(8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/s2
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n/an/a 43n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261442
PNG
(CHEMBL3359682)
Show SMILES OC[C@H]1N\C(=N/CC2CCCCCC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C14H26N2O4/c17-8-10-11(18)12(19)13(20)14(16-10)15-7-9-5-3-1-2-4-6-9/h9-13,17-20H,1-8H2,(H,15,16)/t10-,11+,12+,13-/s2
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n/an/a 45n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50140062
PNG
(CHEMBL3359672)
Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C14H20N2O4/c1-8-2-4-9(5-3-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/s2
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n/an/a 58n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/s2
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n/an/a 90n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry


J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
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=1/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 92n/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
β-galactosidase


(Bos taurus (Bovine))
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=1/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 100n/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
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261444
PNG
(CHEMBL3359670)
Show SMILES Cc1ccccc1C\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C14H20N2O4/c1-8-4-2-3-5-9(8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/s2
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n/an/a 118n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
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=1/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 190n/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
β-galactosidase


(Bos taurus (Bovine))
BDBM50133507
PNG
(4-Decylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
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=1/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 230n/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
β-galactosidase


(Bos taurus (Bovine))
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=1/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 230n/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
β-galactosidase


(Bos taurus (Bovine))
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=1/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 350n/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
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261435
PNG
(CHEMBL3359666)
Show SMILES CC(C)(C)c1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C17H26N2O4/c1-17(2,3)11-6-4-10(5-7-11)8-18-16-15(23)14(22)13(21)12(9-20)19-16/h4-7,12-15,20-23H,8-9H2,1-3H3,(H,18,19)/t12-,13+,14+,15-/s2
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n/an/a 412n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50118923
PNG
((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50124579
PNG
(CHEMBL3621532)
Show SMILES OC[C@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7+,8-,9-/s2
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n/an/a 800n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50140061
PNG
(CHEMBL3752112)
Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1
Show InChI InChI=1/C14H20N2O3/c1-9-2-4-10(5-3-9)7-15-13-6-12(18)14(19)11(8-17)16-13/h2-5,11-12,14,17-19H,6-8H2,1H3,(H,15,16)/t11-,12-,14+/s2
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n/an/a 850n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50133504
PNG
(4-Methyl-6-(4-phenyl-butylamino)-cyclohexane-1,2,3...)
Show SMILES CC1CC(NCCCCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261416
PNG
(CHEMBL3359678)
Show SMILES OC[C@H]1N\C(=N/C2CC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H16N2O4/c12-3-5-6(13)7(14)8(15)9(11-5)10-4-1-2-4/h4-8,12-15H,1-3H2,(H,10,11)/t5-,6+,7+,8-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50133508
PNG
((1R,3R,4S)-4-Decylamino-6-methyl-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-18-14-12-13(2)15(19)17(21)16(14)20/h13-21H,3-12H2,1-2H3/t13?,14-,15+,16+,17?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261415
PNG
(CHEMBL3359679)
Show SMILES OC[C@H]1N\C(=N/C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C12H22N2O4/c15-6-8-9(16)10(17)11(18)12(14-8)13-7-4-2-1-3-5-7/h7-11,15-18H,1-6H2,(H,13,14)/t8-,9+,10+,11-/s2
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University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261420
PNG
(CHEMBL3359673)
Show SMILES CCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C9H18N2O4/c1-2-3-10-9-8(15)7(14)6(13)5(4-12)11-9/h5-8,12-15H,2-4H2,1H3,(H,10,11)/t5-,6+,7+,8-/s2
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50124583
PNG
(CHEMBL3621209)
Show SMILES OC[C@@]12CCCN1C[C@@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7-,8+,9-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50261422
PNG
(CHEMBL3359680)
Show SMILES OC[C@H]1N\C(=N/CC2CC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H18N2O4/c13-4-6-7(14)8(15)9(16)10(12-6)11-3-5-1-2-5/h5-9,13-16H,1-4H2,(H,11,12)/t6-,7+,8+,9-/s2
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n/an/a>1.40E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)

More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
Show InChI InChI=1/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of bovine liver beta-galactosidase


J Med Chem 37: 3701-6 (1994)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50124581
PNG
(CHEMBL3621529)
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/s2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50133503
PNG
((1R,3R,6S)-4-Methyl-6-(4-phenyl-butylamino)-cycloh...)
Show SMILES CC1C[C@H](NCCCCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H27NO3/c1-12-11-14(16(20)17(21)15(12)19)18-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14-21H,5-6,9-11H2,1H3/t12?,14-,15+,16+,17?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50358322
PNG
(CHEMBL1922580)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/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+/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Hokko Chemical Industry Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-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
β-galactosidase


(Bos taurus (Bovine))
BDBM50133506
PNG
((1R,3R,4S)-4-Dodecylamino-6-methyl-cyclohexane-1,2...)
Show SMILES CCCCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C19H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16-14-15(2)17(21)19(23)18(16)22/h15-23H,3-14H2,1-2H3/t15?,16-,17+,18+,19?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
Show InChI InChI=1/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometry


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
Show InChI InChI=1/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50037814
PNG
(2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol | CHEMB...)
Show SMILES OCC1NC(CO)C(O)C1O
Show InChI InChI=1/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50279407
PNG
(2,5-Imino-2,5,7-trideoxy-D-glycero-D-manno-heptito...)
Show SMILES C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C7H15NO4/c1-3(10)5-7(12)6(11)4(2-9)8-5/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/s2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


J Nat Prod 65: 1875-81 (2002)


Article DOI: 10.1021/np020296h
BindingDB Entry DOI: 10.7270/Q2NC60Z4
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50124582
PNG
(CHEMBL3621528)
Show SMILES OC[C@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9-/s2
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/s2
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MMDB
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PDB
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometry


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50133505
PNG
((1R,3R,6S)-4-Methyl-6-octylamino-cyclohexane-1,2,3...)
Show SMILES CCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3/t11?,12-,13+,14+,15?/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50133501
PNG
(4-Hexylamino-6-methyl-cyclohexane-1,2,3-triol | CH...)
Show SMILES CCCCCCNC1CC(C)C(O)C(O)C1O
Show InChI InChI=1/C13H27NO3/c1-3-4-5-6-7-14-10-8-9(2)11(15)13(17)12(10)16/h9-17H,3-8H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against beta-galactosidase in bovine liver


Bioorg Med Chem Lett 13: 3461-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00742-x
BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
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