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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'akasaka' and Initial = 'a'   
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
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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n/an/a 0.400n/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
Monoamine oxidase A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 0.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...


US Patent US9603833 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
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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n/an/a 0.5n/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))
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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n/an/a 0.600n/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)


(Homo sapiens (Human))
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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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))
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))
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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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))
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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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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
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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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))
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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
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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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))
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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n/an/a 1n/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))
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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n/an/a 1.10n/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))
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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n/an/a 1.20n/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))
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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n/an/a 1.20n/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))
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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n/an/a 1.30n/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))
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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n/an/a 1.40n/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))
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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n/an/a 1.40n/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))
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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n/an/a 1.40n/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))
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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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
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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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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309473
PNG
(US9603833, Example 85)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C19H26N4O/c1-3-23(4-2)18-12-11-17(14-21-18)10-7-15-5-8-16(9-6-15)13-19(24)22-20/h5-6,8-9,11-12,14H,3-4,7,10,13,20H2,1-2H3,(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)


(Homo sapiens (Human))
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))
BDBM309482
PNG
(US9603833, Example 101)
Show SMILES CC(=O)N1CCN(CC1)c1cnc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C20H26N6O2/c1-15(27)25-8-10-26(11-9-25)19-14-22-18(13-23-19)7-6-16-2-4-17(5-3-16)12-20(28)24-21/h2-5,13-14H,6-12,21H2,1H3,(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)


(Homo sapiens (Human))
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))
BDBM309461
PNG
(US9603833, Example 30)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1
Show InChI InChI=1S/C20H27N3O/c1-3-23(4-2)19-13-11-17(12-14-19)6-5-16-7-9-18(10-8-16)15-20(24)22-21/h7-14H,3-6,15,21H2,1-2H3,(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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309481
PNG
(US9603833, Example 99)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nn1
Show InChI InChI=1S/C20H26N6O2/c1-15(27)25-10-12-26(13-11-25)19-9-8-18(23-24-19)7-6-16-2-4-17(5-3-16)14-20(28)22-21/h2-5,8-9H,6-7,10-14,21H2,1H3,(H,22,28)
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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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309495
PNG
(US9603833, Example 117)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCNC(=O)NN)s2)nc1
Show InChI InChI=1S/C20H28N6O2S/c1-15(27)25-10-12-26(13-11-25)17-4-2-16(23-14-17)3-5-18-6-7-19(29-18)8-9-22-20(28)24-21/h2,4,6-7,14H,3,5,8-13,21H2,1H3,(H2,22,24,28)
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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)


(Homo sapiens (Human))
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)


(Homo sapiens (Human))
BDBM309482
PNG
(US9603833, Example 101)
Show SMILES CC(=O)N1CCN(CC1)c1cnc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C20H26N6O2/c1-15(27)25-8-10-26(11-9-25)19-14-22-18(13-23-19)7-6-16-2-4-17(5-3-16)12-20(28)24-21/h2-5,13-14H,6-12,21H2,1H3,(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)


(Homo sapiens (Human))
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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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))
BDBM309480
PNG
(US9603833, Example 95)
Show SMILES NNC(=O)Cc1ccc(CCc2csc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C17H23N5OS/c18-21-16(23)11-14-3-1-13(2-4-14)5-6-15-12-24-17(20-15)22-9-7-19-8-10-22/h1-4,12,19H,5-11,18H2,(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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309465
PNG
(US9603833, Example 47)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(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)


(Homo sapiens (Human))
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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
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)


(Homo sapiens (Human))
BDBM309493
PNG
(US9603833, Example 115)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCOC(=O)NN)s2)nc1
Show InChI InChI=1S/C20H27N5O3S/c1-15(26)24-9-11-25(12-10-24)17-4-2-16(22-14-17)3-5-18-6-7-19(29-18)8-13-28-20(27)23-21/h2,4,6-7,14H,3,5,8-13,21H2,1H3,(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))
BDBM309471
PNG
(US9603833, Example 74)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(s2)N2CCNCC2)cc1
Show InChI InChI=1S/C18H24N4OS/c19-21-17(23)13-15-3-1-14(2-4-15)5-6-16-7-8-18(24-16)22-11-9-20-10-12-22/h1-4,7-8,20H,5-6,9-13,19H2,(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)


(Homo sapiens (Human))
BDBM309500
PNG
(US9603833, Example 124)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCCOC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H29N5O3S/c1-16(27)25-8-10-26(11-9-25)19-7-6-18(23-14-19)5-4-17-13-20(30-15-17)3-2-12-29-21(28)24-22/h6-7,13-15H,2-5,8-12,22H2,1H3,(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)


(Homo sapiens (Human))
BDBM309496
PNG
(US9603833, Example 119)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCC(=O)NN)cc2)nc1
Show InChI InChI=1S/C22H29N5O2/c1-17(28)26-12-14-27(15-13-26)21-10-9-20(24-16-21)8-6-18-2-4-19(5-3-18)7-11-22(29)25-23/h2-5,9-10,16H,6-8,11-15,23H2,1H3,(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))
BDBM309460
PNG
(US9603833, Example 20)
Show SMILES NNC(=O)Cc1ccc(CCc2csc(n2)C2CCNCC2)cc1
Show InChI InChI=1S/C18H24N4OS/c19-22-17(23)11-14-3-1-13(2-4-14)5-6-16-12-24-18(21-16)15-7-9-20-10-8-15/h1-4,12,15,20H,5-11,19H2,(H,22,23)
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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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309462
PNG
(US9603833, Example 44)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCC2)cc1
Show InChI InChI=1S/C19H24N4O/c20-22-19(24)13-16-6-3-15(4-7-16)5-8-17-9-10-18(21-14-17)23-11-1-2-12-23/h3-4,6-7,9-10,14H,1-2,5,8,11-13,20H2,(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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309500
PNG
(US9603833, Example 124)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCCOC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H29N5O3S/c1-16(27)25-8-10-26(11-9-25)19-7-6-18(23-14-19)5-4-17-13-20(30-15-17)3-2-12-29-21(28)24-22/h6-7,13-15H,2-5,8-12,22H2,1H3,(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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309472
PNG
(US9603833, Example 83)
Show SMILES CCN(CCN)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1
Show InChI InChI=1S/C20H28N4O/c1-2-24(14-13-21)19-11-9-17(10-12-19)4-3-16-5-7-18(8-6-16)15-20(25)23-22/h5-12H,2-4,13-15,21-22H2,1H3,(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))
BDBM309467
PNG
(US9603833, Example 59)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cc2C(F)(F)F)N2CCNCC2)cc1
Show InChI InChI=1S/C21H25F3N4O/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29)
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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)


(Homo sapiens (Human))
BDBM309480
PNG
(US9603833, Example 95)
Show SMILES NNC(=O)Cc1ccc(CCc2csc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C17H23N5OS/c18-21-16(23)11-14-3-1-13(2-4-14)5-6-15-12-24-17(20-15)22-9-7-19-8-10-22/h1-4,12,19H,5-11,18H2,(H,21,23)
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n/an/a 6.30n/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)


(Homo sapiens (Human))
BDBM309499
PNG
(US9603833, Example 122)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCOC(=O)NN)cc2)nc1
Show InChI InChI=1S/C22H29N5O3/c1-17(28)26-11-13-27(14-12-26)21-9-8-20(24-16-21)7-6-18-2-4-19(5-3-18)10-15-30-22(29)25-23/h2-5,8-9,16H,6-7,10-15,23H2,1H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60n/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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309484
PNG
(US9603833, Example 105)
Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/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)


(Homo sapiens (Human))
BDBM309484
PNG
(US9603833, Example 105)
Show SMILES NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C19H25N5O/c20-23-19(25)14-16-4-1-15(2-5-16)3-6-17-7-8-22-18(13-17)24-11-9-21-10-12-24/h1-2,4-5,7-8,13,21H,3,6,9-12,14,20H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/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
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