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Patent code US10399973

Compile Data Set for Download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103940
PNG
(US10399973, Example 7 | US8569338, 7 | US9035066, ...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1
Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)
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n/an/a 34n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103941
PNG
(US10399973, Example 14 | US8569338, 14 | US9035066...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOc1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,19,20)
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n/an/a 48n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM103942
PNG
(US10399973, Example 17 | US8569338, 24 | US9035066...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCC1CCOC1
Show InChI InChI=1S/C15H23N3O3/c1-10(2)14-13-12(16-9-17-13)3-5-18(14)15(19)21-8-11-4-6-20-7-11/h9-11,14H,3-8H2,1-2H3,(H,16,17)
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n/an/a 91n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412595
PNG
(5-Benzyl 6-methyl (4S,6S)-4-isopropyl-1,4,6,7-tetr...)
Show SMILES COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](C(C)C)N1C(=O)OCc1ccccc1
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n/an/a<1.00E+3n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412600
PNG
((2R)-Tetrahydrofuran-2-ylmethyl 4-isopropyl-1,4,6,...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OC[C@H]1CCCO1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412604
PNG
((3R)-1-methylpyrrolidin-3-yl 4-isopropyl-1,4,6,7-t...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)O[C@@H]1CCN(C)C1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412605
PNG
(Oxetan-2-ylmethyl 4-isopropyl-1,4,6,7-tetrahydro-5...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCC1CCO1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412589
PNG
(Pyridin-2-ylmethyl 4-isopropyl-1,4,6,7-tetrahydro-...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1ccccn1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412607
PNG
(2-(2,2,2-Trifluoroethoxy)ethyl 4-isopropyl-1,4,6,7...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOCC(F)(F)F
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n/an/a<1.00E+3n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412591
PNG
((5-Chloropyridin-2-yl)methyl 4-isopropyl-1,4,6,7-t...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1ccc(Cl)cn1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412602
PNG
((5-Methylisoxazol-3-yl)methyl 4-isopropyl-1,4,6,7-...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cc(C)on1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412588
PNG
(4-Chlorobenzyl 4-isopropyl-1,4,6,7-tetrahydro-5H-i...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1ccc(Cl)cc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412592
PNG
(Pyrazin-2-ylmethyl 4-isopropyl-1,4,6,7-tetrahydro-...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cnccn1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412594
PNG
(Benzyl (4S,6S)-4-isopropyl-6-[(methylamino)carbony...)
Show SMILES CNC(=O)[C@@H]1Cc2nc[nH]c2[C@H](C(C)C)N1C(=O)OCc1ccccc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412603
PNG
(US10399973, Example 23 | [(2S)-1-Methylpyrrolidin-...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OC[C@@H]1CCCN1C
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412585
PNG
(2-Chloro-2,2-difluoroethyl 4-isopropyl-1,4,6,7-tet...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCC(F)(F)Cl
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412586
PNG
(Benzyl 4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo[4...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1ccccc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412593
PNG
(Benzyl (4S,6S)-6-(aminocarbonyl)-4-isopropyl-1,4,6...)
Show SMILES CC(C)[C@@H]1N([C@@H](Cc2nc[nH]c12)C(N)=O)C(=O)OCc1ccccc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412597
PNG
((3S)-Tetrahydrofuran-3-yl (4S)-4-isopropyl-1,4,6,7...)
Show SMILES CC(C)[C@@H]1N(CCc2nc[nH]c12)C(=O)O[C@H]1CCOC1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412606
PNG
(2-(Pyridin-3-yloxy)ethyl 4-isopropyl-1,4,6,7-tetra...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOc1cccnc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412584
PNG
(2,2,2-Trichloroethyl 4-isopropyl-1,4,6,7-tetrahydr...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCC(Cl)(Cl)Cl
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412596
PNG
(2-(4-Chlorophenoxy)ethyl 4-isopropyl-1,4,6,7-tetra...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCOc1ccc(Cl)cc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412601
PNG
(1,3-Thiazol-2-ylmethyl 4-Isopropyl-1,4,6,7-tetrahy...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1nccs1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412590
PNG
(Pyridin-4-ylmethyl 4-isopropyl-1,4,6,7-tetrahydro-...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1ccncc1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412587
PNG
(3-Chlorobenzyl 4-isopropyl-1,4,6,7-tetrahydro-5H-i...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccc(Cl)c1
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BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412598
PNG
((3-Methyloxetan-3-yl)methyl 4-isopropyl-1,4,6,7-te...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCC1(C)COC1
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n/an/a<1.00E+3n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM412599
PNG
(2-(Dimethylamino)ethyl 4-isopropyl-1,4,6,7-tetrahy...)
Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCCN(C)C
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n/an/a<1.00E+3n/an/an/an/an/an/a



BENEVOLENTAI CAMBRIDGE LIMITED

US Patent


Assay Description
All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...


US Patent US10399973 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7ZCK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%