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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Lysyl oxidase' AND taxid = 9606   
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
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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PubMed
n/an/a 1.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18366
PNG
((2R,3R,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1
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n/an/a 1.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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PubMed
n/an/a 1.50E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18357
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...)
Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1
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n/an/a 2.10E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18356
PNG
((2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
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n/an/a 4.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18364
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidi...)
Show SMILES CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18363
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-octylpiperidi...)
Show SMILES CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-10-12(17)14(19)13(18)11(9-16)15-10/h10-19H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
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n/an/a 5.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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PubMed
n/an/a 5.00E+3n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18362
PNG
((2R,3S,4R,5R,6R)-2-hexyl-6-(hydroxymethyl)piperidi...)
Show SMILES CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
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PubMed
n/an/a 1.20E+4n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18359
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-methylpiperid...)
Show SMILES C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
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n/an/a 2.80E+4n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens)
BDBM50122955
PNG
(2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...)
Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F
Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
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n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against lysyl oxidase


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18361
PNG
((2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidi...)
Show SMILES CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h6-15H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
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n/an/a 3.10E+4n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18354
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-propylpiperidine...)
Show SMILES CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
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PubMed
n/an/a 5.60E+4n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens)
BDBM50161150
PNG
(4-{[4-(aminomethyl)-5-(4-hydroxybutoxy)pyridin-3-y...)
Show SMILES NCc1c(OCCCCO)cncc1OCCCCO
Show InChI InChI=1S/C14H24N2O4/c15-9-12-13(19-7-3-1-5-17)10-16-11-14(12)20-8-4-2-6-18/h10-11,17-18H,1-9,15H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta


Citation and Details
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens)
BDBM50161136
PNG
(2-{[4-(aminomethyl)-5-(2-hydroxyethoxy)pyridin-3-y...)
Show SMILES NCc1c(OCCO)cncc1OCCO
Show InChI InChI=1S/C10H16N2O4/c11-5-8-9(15-3-1-13)6-12-7-10(8)16-4-2-14/h6-7,13-14H,1-5,11H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta


Citation and Details
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Homo sapiens)
BDBM18360
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperid...)
Show SMILES CCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C9H19NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h5-14H,2-4H2,1H3/t5-,6-,7+,8-,9-/m1/s1
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PubMed
n/an/a 2.70E+5n/an/an/an/a4.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Citation and Details
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens)
BDBM50161143
PNG
((3,5-diethoxypyridin-4-yl)methylamine dihydrochlor...)
Show SMILES CCOc1cncc(OCC)c1CN
Show InChI InChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta


Citation and Details
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens)
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta


Citation and Details
More data for this
Ligand-Target Pair