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Compile Data Set for Download or QSAR

Found 681 hits Enz. Inhib. hit(s) with Target = 'Beta-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
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
CHEMBL3359669
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.0500n/an/an/an/an/an/an/an/a


TBA



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


(Escherichia coli)
BDBM50140062
PNG
(CHEMBL3359672)
Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
0.0600n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
CHEMBL3359677
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.0600n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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 |r|
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
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.0700n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359681
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.0800n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359666
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.110n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359671
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.110n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359674
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.110n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359122
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
0.120n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359668
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.130n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359123
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
0.160n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359682
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.160n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3815031
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.180n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359124
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
0.190n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359670
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.200n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359667
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.230n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL4091969
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.240n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359673
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.320n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359678
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
0.320n/an/an/an/an/an/an/an/a


TBA



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


(Bos taurus (Bovine))
CHEMBL3359680
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.390n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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 |r,t:7|
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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0.600n/an/an/an/an/an/an/an/a


TBA



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


(Escherichia coli)
BDBM50140061
PNG
(CHEMBL3752112)
Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1 |r,t:7|
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
PDB
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1.30n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
CHEMBL3359679
PNG
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
2.30n/an/an/an/an/an/an/an/a


TBA



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


(Escherichia coli)
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 |r|
Show InChI InChI=1/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-/s2
PDB
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UniChem
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2.90n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


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


BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50254109
PNG
(CHEMBL4069909)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
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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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)


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 |r|
Show InChI InChI=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r|
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
PDB
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UniChem
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31n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


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


BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140059
PNG
(CHEMBL3753015)
Show SMILES CO[C@H]1[C@@H](CO)N=C(NCc2ccc(C)cc2)[C@H](O)[C@H]1O |r,t:6|
Show InChI InChI=1/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+/s2
PDB
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UniChem
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32n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140060
PNG
(CHEMBL3754250)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N=C1NCc1ccc(C)cc1 |r,c:10|
Show InChI InChI=1/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-/s2
PDB
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42n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


BindingDB Entry DOI: 10.7270/Q20P11WZ
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)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/s2
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49n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


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


BindingDB Entry DOI: 10.7270/Q2HQ41SR
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)


BindingDB Entry DOI: 10.7270/Q2FF3RR7
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50254116
PNG
(CHEMBL4083115)
KEGG

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UniChem
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110n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
More data for this
Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase


(Bos taurus (Bovine))
BDBM50254117
PNG
(CHEMBL4061246)
KEGG

UniProtKB/SwissProt

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UniChem
Article
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130n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
beta-Galactosidase (β-gal)


(Escherichia coli (Enterobacteria))
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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220n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
beta-Galactosidase (β-gal)


(Escherichia coli (Enterobacteria))
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 |r|
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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270n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1/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-/s2
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280n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


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


BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50254109
PNG
(CHEMBL4069909)
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290n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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300n/an/an/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human beta galactosidase


J Med Chem 56: 2705-25 (2013)


Article DOI: 10.1021/jm301557k
BindingDB Entry DOI: 10.7270/Q26111N4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens (Human))
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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300n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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510n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens (Human))
BDBM50246569
PNG
(CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1
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600n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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 |r|
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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700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50356097
PNG
(CHEMBL461161)
Show SMILES COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Show InChI InChI=1S/C25H37N3O8S/c1-27(2)19-11-6-9-17-16(19)8-7-12-22(17)37(34,35)26-18(25(33)36-3)10-4-5-13-28-14-21(30)24(32)23(31)20(28)15-29/h6-9,11-12,18,20-21,23-24,26,29-32H,4-5,10,13-15H2,1-3H3/t18-,20+,21-,23-,24+/m0/s1
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700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


Bioorg Med Chem Lett 21: 6872-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
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 |r,t:6|
Show InChI InChI=1/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+/s2
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840n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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 |r,t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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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)


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 |r,t:10|
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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873n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.086
More data for this
Ligand-Target Pair
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