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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase, copper containing'   
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
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50104436
PNG
(((E)-3-Benzo[1,3]dioxol-5-yl-allyl)-methyl-amine |...)
Show SMILES CNC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO2/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7,12H,6,8H2,1H3/b3-2+
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2.70E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50104437
PNG
(CHEMBL312832 | [3-(3,4-Dimethoxy-phenyl)-prop-2-yn...)
Show SMILES COc1ccc(cc1OC)C#CCN(C)C
Show InChI InChI=1S/C13H17NO2/c1-14(2)9-5-6-11-7-8-12(15-3)13(10-11)16-4/h7-8,10H,9H2,1-4H3
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2.90E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50104434
PNG
((3-Benzo[1,3]dioxol-5-yl-prop-2-ynyl)-dimethyl-ami...)
Show SMILES CN(C)CC#Cc1ccc2OCOc2c1
Show InChI InChI=1S/C12H13NO2/c1-13(2)7-3-4-10-5-6-11-12(8-10)15-9-14-11/h5-6,8H,7,9H2,1-2H3
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3.10E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50285494
PNG
(C-[(Dimethyl-phenethyl-silanyl)]-methylamine | CHE...)
Show SMILES C[Si](C)(CN)CCc1ccccc1
Show InChI InChI=1S/C11H19NSi/c1-13(2,10-12)9-8-11-6-4-3-5-7-11/h3-7H,8-10,12H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50104435
PNG
(4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...)
Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
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2.70E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50285495
PNG
(C-[(Benzyl-dimethyl-silanyl)]-methylamine | CHEMBL...)
Show SMILES C[Si](C)(CN)Cc1ccccc1
Show InChI InChI=1S/C10H17NSi/c1-12(2,9-11)8-10-6-4-3-5-7-10/h3-7H,8-9,11H2,1-2H3
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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9.00E+5n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50285496
PNG
(2-(Dimethyl-phenethyl-silanyl)-ethylamine; hydroch...)
Show SMILES Cl.C[Si](C)(CCN)CCc1ccccc1
Show InChI InChI=1S/C12H21NSi.ClH/c1-14(2,11-9-13)10-8-12-6-4-3-5-7-12;/h3-7H,8-11,13H2,1-2H3;1H
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1.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 5: 2363-2366 (1995)


Article DOI: 10.1016/0960-894X(95)00410-U
BindingDB Entry DOI: 10.7270/Q25H7G6G
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309489
PNG
(US9603833, Example 111)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(COC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-9-11-26(12-10-25)20-8-7-19(23-14-20)6-5-17-3-2-4-18(13-17)15-29-21(28)24-22/h2-4,7-8,13-14H,5-6,9-12,15,22H2,1H3,(H,24,28)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228079
PNG
(US9556160, ex 126)
Show SMILES COc1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C19H23FN6O3/c1-28-19-23-10-14(11-24-19)25-5-7-26(8-6-25)15-4-2-3-13(18(15)20)12-29-17(27)9-16(21)22/h2-4,10-11H,5-9,12H2,1H3,(H3,21,22)
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n/an/a 0.530n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309497
PNG
(US9603833, Example 120)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)s2)nc1
Show InChI InChI=1S/C19H25N5O2S/c1-14(25)23-8-10-24(11-9-23)16-4-2-15(21-13-16)3-5-17-6-7-18(27-17)12-19(26)22-20/h2,4,6-7,13H,3,5,8-12,20H2,1H3,(H,22,26)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309490
PNG
(US9603833, Example 112)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(CNC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-9-11-27(12-10-26)20-8-7-19(23-15-20)6-5-17-3-2-4-18(13-17)14-24-21(29)25-22/h2-4,7-8,13,15H,5-6,9-12,14,22H2,1H3,(H2,24,25,29)
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n/an/a 0.700n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309491
PNG
(US9603833, Example 113)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2F)nc1
Show InChI InChI=1S/C21H26FN5O3/c1-15(28)26-8-10-27(11-9-26)19-7-6-18(24-13-19)5-4-17-3-2-16(12-20(17)22)14-30-21(29)25-23/h2-3,6-7,12-13H,4-5,8-11,14,23H2,1H3,(H,25,29)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309479
PNG
(US9603833, Example 92)
Show SMILES CCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)
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n/an/a 0.800n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309486
PNG
(US9603833, Example 108)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-14-20)7-6-17-2-4-18(5-3-17)15-29-21(28)24-22/h2-5,8-9,14H,6-7,10-13,15,22H2,1H3,(H,24,28)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309476
PNG
(US9603833, Example 88)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C19H26N4O/c1-3-23(4-2)18-12-11-17(21-14-18)10-9-15-5-7-16(8-6-15)13-19(24)22-20/h5-8,11-12,14H,3-4,9-10,13,20H2,1-2H3,(H,22,24)
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n/an/a 0.900n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309477
PNG
(US9603833, Example 89)
Show SMILES CCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228087
PNG
(US9556160, ex 316)
Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H28FN7O3/c1-32-17-12-30(13-17)22-26-10-16(11-27-22)28-5-7-29(8-6-28)18-4-2-3-15(21(18)23)14-33-20(31)9-19(24)25/h2-4,10-11,17H,5-9,12-14H2,1H3,(H3,24,25)
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n/an/a 0.900n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228083
PNG
(US9556160, ex 273)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)C(=O)CC2CCOCC2)c1F
Show InChI InChI=1S/C21H29FN4O4/c22-21-16(14-30-20(28)13-18(23)24)2-1-3-17(21)25-6-8-26(9-7-25)19(27)12-15-4-10-29-11-5-15/h1-3,15H,4-14H2,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228093
PNG
(US9556160, ex 554)
Show SMILES COCc1ccc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-5-6-17(12-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)11-19(23)24/h2-6,12H,7-11,13-14H2,1H3,(H3,23,24)
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n/an/a 0.970n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228084
PNG
(US9556160, ex 293)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F
Show InChI InChI=1S/C19H22FN5O2/c20-19-14(13-27-18(26)11-17(21)22)3-1-5-16(19)25-9-7-24(8-10-25)15-4-2-6-23-12-15/h1-6,12H,7-11,13H2,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228082
PNG
(US9556160, ex 220)
Show SMILES CC(=O)N1CCC(CC1)OC1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H31FN4O4/c1-15(28)26-9-5-17(6-10-26)31-18-7-11-27(12-8-18)19-4-2-3-16(22(19)23)14-30-21(29)13-20(24)25/h2-4,17-18H,5-14H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309474
PNG
(US9603833, Example 86)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cn2)N2CCNCC2)cc1
Show InChI InChI=1S/C19H25N5O/c20-23-19(25)13-16-3-1-15(2-4-16)5-6-17-7-8-18(14-22-17)24-11-9-21-10-12-24/h1-4,7-8,14,21H,5-6,9-13,20H2,(H,23,25)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228072
PNG
(US9556160, ex 63)
Show SMILES COC1CN(C1)c1ncc(cn1)-c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C18H20FN5O3/c1-26-13-8-24(9-13)18-22-6-12(7-23-18)14-4-2-3-11(17(14)19)10-27-16(25)5-15(20)21/h2-4,6-7,13H,5,8-10H2,1H3,(H3,20,21)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309459
PNG
(US9603833, Example 12)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H24N4O2/c20-22-19(24)13-16-4-1-15(2-5-16)3-6-17-7-8-18(21-14-17)23-9-11-25-12-10-23/h1-2,4-5,7-8,14H,3,6,9-13,20H2,(H,22,24)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228097
PNG
(US9556160, ex 558)
Show SMILES COCc1cncc(c1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-13-15-9-17(12-25-11-15)26-5-7-27(8-6-26)18-4-2-3-16(21(18)22)14-30-20(28)10-19(23)24/h2-4,9,11-12H,5-8,10,13-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228105
PNG
(US9556160, ex 566)
Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-11-17(5-6-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)12-19(23)24/h2-6,11H,7-10,12-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309492
PNG
(US9603833, Example 114)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CNC(=O)NN)cc2F)nc1
Show InChI InChI=1S/C21H27FN6O2/c1-15(29)27-8-10-28(11-9-27)19-7-6-18(24-14-19)5-4-17-3-2-16(12-20(17)22)13-25-21(30)26-23/h2-3,6-7,12,14H,4-5,8-11,13,23H2,1H3,(H2,25,26,30)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309464
PNG
(US9603833, Example 45)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228095
PNG
(US9556160, ex 556)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2ccn3ccnc3c2)c1F
Show InChI InChI=1S/C21H23FN6O2/c22-21-15(14-30-20(29)13-18(23)24)2-1-3-17(21)27-10-8-26(9-11-27)16-4-6-28-7-5-25-19(28)12-16/h1-7,12H,8-11,13-14H2,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309470
PNG
(US9603833, Example 70)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C21H27N3O2/c22-23-21(25)15-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)16-24-11-13-26-14-12-24/h3-10H,1-2,11-16,22H2,(H,23,25)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309478
PNG
(US9603833, Example 90)
Show SMILES CCCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C19H26N4O/c1-3-12-23(2)18-11-10-17(14-21-18)9-6-15-4-7-16(8-5-15)13-19(24)22-20/h4-5,7-8,10-11,14H,3,6,9,12-13,20H2,1-2H3,(H,22,24)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228101
PNG
(US9556160, ex 562)
Show SMILES COCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O4/c1-29-13-19(27)25-7-5-14(6-8-25)16-10-26(11-16)17-4-2-3-15(21(17)22)12-30-20(28)9-18(23)24/h2-4,14,16H,5-13H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309475
PNG
(US9603833, Example 87)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228099
PNG
(US9556160, ex 560)
Show SMILES CCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O3/c1-2-19(27)25-8-6-14(7-9-25)16-11-26(12-16)17-5-3-4-15(21(17)22)13-29-20(28)10-18(23)24/h3-5,14,16H,2,6-13H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228077
PNG
(US9556160, ex 110)
Show SMILES CC1(O)CCN(CC1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C24H32FN7O3/c1-24(34)5-7-32(8-6-24)23-28-14-18(15-29-23)30-9-11-31(12-10-30)19-4-2-3-17(22(19)25)16-35-21(33)13-20(26)27/h2-4,14-15,34H,5-13,16H2,1H3,(H3,26,27)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309487
PNG
(US9603833, Example 109)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CNC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-10-12-27(13-11-26)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-24-21(29)25-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H2,24,25,29)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228103
PNG
(US9556160, ex 564)
Show SMILES CS(=O)(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C19H27FN4O4S/c1-29(26,27)24-7-5-13(6-8-24)15-10-23(11-15)16-4-2-3-14(19(16)20)12-28-18(25)9-17(21)22/h2-4,13,15H,5-12H2,1H3,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228102
PNG
(US9556160, ex 563)
Show SMILES COCCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H31FN4O4/c1-30-10-7-20(28)26-8-5-15(6-9-26)17-12-27(13-17)18-4-2-3-16(22(18)23)14-31-21(29)11-19(24)25/h2-4,15,17H,5-14H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228100
PNG
(US9556160, ex 561)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CC(C2)C2CCN(CC2)C(=O)C2CC2)c1F
Show InChI InChI=1S/C22H29FN4O3/c23-21-16(13-30-20(28)10-19(24)25)2-1-3-18(21)27-11-17(12-27)14-6-8-26(9-7-14)22(29)15-4-5-15/h1-3,14-15,17H,4-13H2,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228096
PNG
(US9556160, ex 557)
Show SMILES Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O
Show InChI InChI=1S/C19H21FN4O4/c1-23-8-13(5-6-17(23)25)28-14-9-24(10-14)15-4-2-3-12(19(15)20)11-27-18(26)7-16(21)22/h2-6,8,14H,7,9-11H2,1H3,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309498
PNG
(US9603833, Example 121)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCC(=O)NN)c2)nc1
Show InChI InChI=1S/C20H27N5O2S/c1-15(26)24-8-10-25(11-9-24)18-5-4-17(22-13-18)3-2-16-12-19(28-14-16)6-7-20(27)23-21/h4-5,12-14H,2-3,6-11,21H2,1H3,(H,23,27)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309488
PNG
(US9603833, Example 110)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(OC(=O)NN)cc2)nc1
Show InChI InChI=1S/C20H25N5O3/c1-15(26)24-10-12-25(13-11-24)18-7-6-17(22-14-18)5-2-16-3-8-19(9-4-16)28-20(27)23-21/h3-4,6-9,14H,2,5,10-13,21H2,1H3,(H,23,27)
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US Patent
n/an/a 1.60n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228071
PNG
(US9556160, ex 52)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCC(CC2)c2ccncc2)c1F
Show InChI InChI=1S/C20H23FN4O2/c21-20-16(13-27-19(26)12-18(22)23)2-1-3-17(20)25-10-6-15(7-11-25)14-4-8-24-9-5-14/h1-5,8-9,15H,6-7,10-13H2,(H3,22,23)
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US Patent
n/an/a 1.70n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184850
PNG
(CHEMBL534938 | N'-[2-(4-fluorophenyl)allyl]-N-meth...)
Show SMILES CNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13-12-2)9-3-5-10(11)6-4-9/h3-6,12-13H,1,7H2,2H3
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228085
PNG
(US9556160, ex 300)
Show SMILES Cc1ccc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H24FN5O2/c1-14-5-6-16(12-24-14)25-7-9-26(10-8-25)17-4-2-3-15(20(17)21)13-28-19(27)11-18(22)23/h2-6,12H,7-11,13H2,1H3,(H3,22,23)
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US Patent
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228078
PNG
(US9556160, ex 118)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cnc(nc2)N2CC[C@@H](F)C2)c1F
Show InChI InChI=1S/C22H27F2N7O2/c23-16-4-5-31(13-16)22-27-11-17(12-28-22)29-6-8-30(9-7-29)18-3-1-2-15(21(18)24)14-33-20(32)10-19(25)26/h1-3,11-12,16H,4-10,13-14H2,(H3,25,26)/t16-/m1/s1
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
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