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Compile Data Set for Download or QSAR

Found 52 hits of ki 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
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=1S/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-/m1/s1
KEGG

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0.0500n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in human HeLa nuclear extracts incubated for 40 mins using calf thymus DNA and fluoroscein-p53[Ser15]-peptide by Lanthascreen ti...


Bioorg Med Chem 25: 5194-5202 (2017)

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=1S/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-/m1/s1
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0.0600n/an/an/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))
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=1S/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-/m1/s1
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0.0700n/an/an/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=1S/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-/m1/s1
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0.0800n/an/an/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))
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=1S/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-/m1/s1
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0.110n/an/an/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=1S/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-/m1/s1
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0.110n/an/an/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))
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=1S/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-/m1/s1
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0.110n/an/an/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=1S/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-/m1/s1
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0.120n/an/an/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))
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=1S/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-/m1/s1
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0.130n/an/an/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))
BDBM50261442
PNG
(CHEMBL3359682)
Show SMILES OC[C@H]1N\C(=N/CC2CCCCCC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.160n/an/an/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=1S/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-/m1/s1
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0.160n/an/an/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))
BDBM50261439
PNG
(CHEMBL3815031)
Show SMILES CCCCC(CC)CNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.180n/an/an/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))
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=1S/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-/m1/s1
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0.190n/an/an/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))
BDBM50261444
PNG
(CHEMBL3359670)
Show SMILES Cc1ccccc1C\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.200n/an/an/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=1S/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-/m1/s1
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0.230n/an/an/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=1S/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-/m1/s1
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0.240n/an/an/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))
BDBM50261416
PNG
(CHEMBL3359678)
Show SMILES OC[C@H]1N\C(=N/C2CC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.320n/an/an/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))
BDBM50261420
PNG
(CHEMBL3359673)
Show SMILES CCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.320n/an/an/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))
BDBM50261422
PNG
(CHEMBL3359680)
Show SMILES OC[C@H]1N\C(=N/CC2CC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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0.390n/an/an/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))
BDBM50140061
PNG
(CHEMBL3752112)
Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1
Show InChI InChI=1S/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+/m1/s1
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0.600n/an/an/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))
BDBM50261415
PNG
(CHEMBL3359679)
Show SMILES OC[C@H]1N\C(=N/C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/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-/m1/s1
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2.30n/an/an/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))
BDBM50254109
PNG
(CHEMBL4069909)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...


Bioorg Med Chem Lett 27: 3431-3435 (2017)

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=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
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Article
PubMed
9n/an/an/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


(Bos taurus (Bovine))
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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13n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
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=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
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46n/an/an/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))
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=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
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110n/an/an/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))
BDBM50254116
PNG
(CHEMBL4083115)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCCCC#N
Show InChI InChI=1S/C12H22N2O4/c13-5-3-1-2-4-6-14-9-8(7-15)10(16)12(18)11(9)17/h8-12,14-18H,1-4,6-7H2/t8-,9+,10-,11-,12-/m0/s1
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110n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...


Bioorg Med Chem Lett 27: 3431-3435 (2017)

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


(Bos taurus (Bovine))
BDBM50254117
PNG
(CHEMBL4061246)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCC#N
Show InChI InChI=1S/C10H18N2O4/c11-3-1-2-4-12-7-6(5-13)8(14)10(16)9(7)15/h6-10,12-16H,1-2,4-5H2/t6-,7+,8-,9-,10-/m0/s1
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130n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...


Bioorg Med Chem Lett 27: 3431-3435 (2017)

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=1S/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-/m0/s1
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200n/an/an/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))
BDBM50124583
PNG
(CHEMBL3621209)
Show SMILES OC[C@@]12CCCN1C[C@@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/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-/m1/s1
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500n/an/an/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))
BDBM50140059
PNG
(CHEMBL3753015)
Show SMILES CO[C@H]1[C@@H](CO)N=C(NCc2ccc(C)cc2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-13(20)12(19)14(21-2)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12-,13-,14+/m1/s1
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840n/an/an/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


(Bos taurus (Bovine))
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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870n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
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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873n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...


Bioorg Med Chem Lett 27: 3431-3435 (2017)

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=1S/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+/m0/s1
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1.00E+3n/an/an/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))
BDBM50140060
PNG
(CHEMBL3754250)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N=C1NCc1ccc(C)cc1
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-14(21-2)13(20)12(19)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12+,13+,14-/m1/s1
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1.50E+3n/an/an/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))
BDBM50124582
PNG
(CHEMBL3621528)
Show SMILES OC[C@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/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-/m0/s1
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1.50E+3n/an/an/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))
BDBM50261441
PNG
(CHEMBL3359683)
Show SMILES OC[C@H]1NC(=N)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12N2O4/c7-6-5(12)4(11)3(10)2(1-9)8-6/h2-5,9-12H,1H2,(H2,7,8)/t2-,3+,4+,5-/m1/s1
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2.00E+3n/an/an/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))
BDBM50124578
PNG
(CHEMBL3621533)
Show SMILES OC[C@@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/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+/m0/s1
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2.40E+3n/an/an/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))
BDBM50261440
PNG
(CHEMBL3359684)
Show SMILES OC[C@H]1NC(=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2-,3+,4+,5-/m1/s1
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2.70E+3n/an/an/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))
BDBM50124580
PNG
(CHEMBL3621530)
Show SMILES OC[C@@]12CCC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/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-/m1/s1
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3.10E+3n/an/an/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


(Bos taurus (Bovine))
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50468278
PNG
(CHEMBL4294263)
Show SMILES Cc1oc(cc1C(=O)NCc1cn(CCCCCCCCCCCCn2cc(CNC(=O)c3cc(oc3C)[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C38H56N10O8/c1-23-27(15-31(55-23)33-35(51)29(49)19-39-33)37(53)41-17-25-21-47(45-43-25)13-11-9-7-5-3-4-6-8-10-12-14-48-22-26(44-46-48)18-42-38(54)28-16-32(56-24(28)2)34-36(52)30(50)20-40-34/h15-16,21-22,29-30,33-36,39-40,49-52H,3-14,17-20H2,1-2H3,(H,41,53)(H,42,54)/t29-,30-,33-,34-,35-,36-/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside as substrate preincubated for 5 mins followed by substr...


Eur J Med Chem 151: 765-776 (2018)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1
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8.94E+3n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50403937
PNG
(CHEMBL2114149)
Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant (Competitive) against Beta-galactosidase from Bovine liver


Bioorg Med Chem Lett 12: 2335-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00397-9
BindingDB Entry DOI: 10.7270/Q2GB23CB
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353068
PNG
(CHEMBL1822735)
Show SMILES CO[C@@H]1CN(O)C[C@@H](CO)O1
Show InChI InChI=1S/C6H13NO4/c1-10-6-3-7(9)2-5(4-8)11-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
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2.02E+4n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50104295
PNG
(2-[(2-Hydroxy-1-methyl-2,2-diphenyl-ethylamino)-me...)
Show SMILES CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3
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2.10E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-galactosidase from Bovine liver


Bioorg Med Chem Lett 11: 2489-93 (2001)


Article DOI: 10.1016/s0960-894x(01)00477-2
BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50254118
PNG
(CHEMBL4090899)
Show SMILES NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C12H26N2O4/c13-5-3-1-2-4-6-14-9-8(7-15)10(16)12(18)11(9)17/h8-12,14-18H,1-7,13H2/t8-,9+,10-,11-,12-/m0/s1
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3.10E+4n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...


Bioorg Med Chem Lett 27: 3431-3435 (2017)

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


(Bos taurus (Bovine))
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant of the compound against beta-Galactosidase from Aspergillus orizae; Mixed (Non competitive and competitive)


Bioorg Med Chem Lett 12: 2335-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00397-9
BindingDB Entry DOI: 10.7270/Q2GB23CB
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50468277
PNG
(CHEMBL4288198)
Show SMILES CCCCCCn1cc(CNC(=O)c2cc(oc2C)[C@H]2NC[C@@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C19H29N5O4/c1-3-4-5-6-7-24-11-13(22-23-24)9-21-19(27)14-8-16(28-12(14)2)17-18(26)15(25)10-20-17/h8,11,15,17-18,20,25-26H,3-7,9-10H2,1-2H3,(H,21,27)/t15-,17-,18-/m1/s1
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5.80E+4n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside as substrate preincubated for 5 mins followed by substr...


Eur J Med Chem 151: 765-776 (2018)

More data for this
Ligand-Target Pair
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