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Compile Data Set for Download or QSAR

Found 362 hits Enz. Inhib. hit(s) with Target = 'Vascular adhesion protein 1 (VAP-1)'   
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)


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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1.61E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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1.64E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
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
PDB
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US Patent
n/an/a 0.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 0.700n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 0.900n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 0.900n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 2n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 2.20n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228095
PNG
(US9556160, ex 556)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2ccn3ccnc3c2)c1F
PDB
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n/an/a 2.70n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
PDB
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n/an/a 3.20n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228072
PNG
(US9556160, ex 63)
Show SMILES COC1CN(C1)c1ncc(cn1)-c1cccc(COC(=O)CC(N)=N)c1F
PDB
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n/an/a 3.40n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
PDB
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n/an/a 3.40n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 3.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
MMDB

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n/an/a 3.70n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
PDB
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n/an/a 3.70n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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 |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
PDB
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n/an/a 4n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
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n/an/a 4.30n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
MMDB

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n/an/a 4.30n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
PDB
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n/an/a 4.70n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
MMDB

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n/an/a 4.70n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM220866
PNG
(US9302986, 23)
Show SMILES CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+
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n/an/a 5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 using benzylamine as substrate incubated for 30 mins followed by substrate addition measured every 2.5 mins for...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228069
PNG
(US9556160, ex 11)
Show SMILES CC(=O)N1CCC(COc2ncc(cn2)-c2cccc(COC(=O)NC(N)=N)c2F)CC1
PDB
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n/an/a 5.20n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228073
PNG
(US9556160, ex 74)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)C2CC2)nc1
PDB
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n/an/a 5.30n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228105
PNG
(US9556160, ex 566)
Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
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n/an/a 6.30n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
PDB
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n/an/a 6.30n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
PDB
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n/an/a 6.60n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128988
PNG
(US8802679, 19)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(\C=C\C(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H31N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-7,12-13,15-17H,8-11,14,18,28H2,1-2H3,(H,36,37)/b7-6+
PDB
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n/an/a 6.90n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129004
PNG
(US8802679, 191)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCC(=CC1)c1cccnc1)C(=O)CN |c:20|
Show InChI InChI=1S/C24H26N6O/c1-29(23(31)13-25)17-18-4-2-5-20(12-18)22-15-27-24(28-16-22)30-10-7-19(8-11-30)21-6-3-9-26-14-21/h2-7,9,12,14-16H,8,10-11,13,17,25H2,1H3
PDB
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n/an/a 7n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228070
PNG
(US9556160, ex 29)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)c2cccnc2)nc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 7.20n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
PDB
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n/an/a 7.30n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228099
PNG
(US9556160, ex 560)
Show SMILES CCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
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n/an/a 9n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM128992
PNG
(US8802679, 66)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(CCC(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H33N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-5,12-13,15-17H,6-11,14,18,28H2,1-2H3,(H,36,37)
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n/an/a 9.40n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309494
PNG
(US9603833, Example 116)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(s2)C(=O)NN)nc1
PDB
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n/an/a 9.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228100
PNG
(US9556160, ex 561)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CC(C2)C2CCN(CC2)C(=O)C2CC2)c1F
PDB
MMDB

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n/an/a 9.60n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228074
PNG
(US9556160, ex 81)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCOCC1
PDB
MMDB

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n/an/a 9.70n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309474
PNG
(US9603833, Example 86)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cn2)N2CCNCC2)cc1
PDB
MMDB

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n/an/a 9.80n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309466
PNG
(US9603833, Example 51)
Show SMILES NNC(=O)Cc1ccc(CCc2cccc(n2)N2CCNCC2)cc1
PDB
MMDB

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n/an/a 9.80n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50384084
PNG
(CHEMBL2029546)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
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n/an/a 10n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309476
PNG
(US9603833, Example 88)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
PDB
MMDB

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n/an/a 10.2n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228087
PNG
(US9556160, ex 316)
Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
MMDB

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n/an/a 11n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228096
PNG
(US9556160, ex 557)
Show SMILES Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O
PDB
MMDB

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n/an/a 11n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228089
PNG
(US9556160, ex 335)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCN(CC1)c1ccc(CCC(O)=O)cc1
PDB
MMDB

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n/an/a 11n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM129000
PNG
(US8802679, 95)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN
Show InChI InChI=1S/C21H22N6O/c1-26(20(28)9-22)12-15-4-2-5-16(8-15)18-10-24-21(25-11-18)27-13-17-6-3-7-23-19(17)14-27/h2-8,10-11H,9,12-14,22H2,1H3
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n/an/a 11n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309467
PNG
(US9603833, Example 59)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cc2C(F)(F)F)N2CCNCC2)cc1
PDB
MMDB

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n/an/a 11.3n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309471
PNG
(US9603833, Example 74)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(s2)N2CCNCC2)cc1
PDB
MMDB

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n/an/a 12.2n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309461
PNG
(US9603833, Example 30)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1
PDB
MMDB

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n/an/a 13n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309481
PNG
(US9603833, Example 99)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nn1
PDB
MMDB

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n/an/a 13.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent




US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228090
PNG
(US9556160, ex 551)
Show SMILES CCC(=O)N1CCC(CC1)OC1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
MMDB

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n/an/a 14n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228101
PNG
(US9556160, ex 562)
Show SMILES COCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
PDB
MMDB

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n/an/a 14n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228076
PNG
(US9556160, ex 105)
Show SMILES CC(=O)N1CCC(COc2ncc(cn2)-c2cccc(CCC(=O)CC(N)=N)c2F)CC1
PDB
MMDB

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n/an/a 14n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent




US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
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