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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' AND taxid = 5061   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-galactosidase


(Aspergillus niger)
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
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Article
6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of beta-galactosidase from aspergillus niger.


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


(Aspergillus niger)
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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PubMed
9.80E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant (Non competitive) of compound against Beta-galactosidase from Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
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PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase from Aspergillus niger


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
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
PDB

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3.00E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant(Non competitive) of compound against Beta-galactosidase from Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
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2.00E+5n/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 Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50104388
PNG
(5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3...)
Show SMILES CCOC(=O)c1cc(oc1C)C1NCC(O)C1O
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
PDB

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3.40E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-D-galactosidase of Aspergillus niger expressed as Ki


Bioorg Med Chem Lett 11: 2555-9 (2001)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
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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3.40E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant (Competitive) of the compound against Beta-galactosidasee from Aspergillus niger was tested at a dose of 1 mM


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
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
PDB

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PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
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
PDB

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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase from Aspergillus niger


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 1.40E+5n/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 Aspergillus niger


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50403938
PNG
(CHEMBL2114150)
Show SMILES CC(C)NC(=O)c1cc(oc1C)[C@@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H20N2O4/c1-6(2)15-13(18)8-4-10(19-7(8)3)11-12(17)9(16)5-14-11/h4,6,9,11-12,14,16-17H,5H2,1-3H3,(H,15,18)/t9-,11+,12-/m1/s1
PDB

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PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger was tested at a dose of 1 mM


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

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50104388
PNG
(5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3...)
Show SMILES CCOC(=O)c1cc(oc1C)C1NCC(O)C1O
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
PDB

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n/an/a 3.70E+5n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta-D-galactosidase of Aspergillus niger


Bioorg Med Chem Lett 11: 2555-9 (2001)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus niger)
BDBM50104304
PNG
(2-[((S)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@H](O)NCC1NCC(O)C1O
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m0/s1
PDB

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n/an/a 4.80E+5n/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 Aspergillus niger


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

More data for this
Ligand-Target Pair