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Compile Data Set for Download or QSAR

Found 1446 hits with Last Name = 'foot' and Initial = 'js'   
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 [flavin-containing] B


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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83n/an/an/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells assessed as apparent inh...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
KEGG

UniProtKB/SwissProt

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UniChem
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710n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(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
Membrane primary amine oxidase


(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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Article
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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
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589702
PNG
(CHEMBL5186190)
Show SMILES Cl.NC\C(=C/F)[C@@H]1Cc2ccccc2O1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589700
PNG
(CHEMBL5204901)
Show SMILES Cl.NC\C(=C\F)[C@@H]1Cc2ccccc2O1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589699
PNG
(CHEMBL5197971)
Show SMILES Cl.NCC(=CF)C1Cc2ccccc2O1
PDB

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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589698
PNG
(CHEMBL5199917)
Show SMILES Cc1ccccc1OC\C(CN)=C\F
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589695
PNG
(CHEMBL5198317)
Show SMILES NCC(COc1ccc(F)cc1)=CF
KEGG

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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589695
PNG
(CHEMBL5198317)
Show SMILES NCC(COc1ccc(F)cc1)=CF
PDB

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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589700
PNG
(CHEMBL5204901)
Show SMILES Cl.NC\C(=C\F)[C@@H]1Cc2ccccc2O1 |r|
KEGG

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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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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US Patent
n/an/a 5n/an/an/an/a7.437



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for hu...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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n/an/a 5n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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n/an/a 5n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505633
PNG
(CHEMBL4448713)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C22H26FN3O4S2/c1-15-22(16-6-5-7-19(12-16)32(29,30)25(2)3)20-13-18(31(4,27)28)8-9-21(20)26(15)14-17(23)10-11-24/h5-10,12-13H,11,14,24H2,1-4H3/b17-10-
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n/an/a 5n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
Article
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589696
PNG
(CHEMBL5201033)
Show SMILES NCC(COc1ccccc1)=CF
KEGG

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UniChem
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Rattus norvegicus)
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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n/an/a 6n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat LOLX2 using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured ev...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Mus musculus)
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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n/an/a 6n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse C-terminal His-tagged LOLX2 (26-776 residues) expressed in mouse myeloma cells using putrescine as substrate preincub...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589696
PNG
(CHEMBL5201033)
Show SMILES NCC(COc1ccccc1)=CF
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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n/an/a 9n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of LOXL2 in human IMR90 cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measur...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(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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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Mus musculus)
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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PubMed
n/an/a 10n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring 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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50384098
PNG
(CHEMBL2029537)
Show SMILES NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H11FN2O3/c11-8(5-6-12)7-16-10-3-1-9(2-4-10)13(14)15/h1-5H,6-7,12H2/b8-5+
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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B 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
Amine oxidase [flavin-containing] B


(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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Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B 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
Membrane primary amine oxidase


(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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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
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589702
PNG
(CHEMBL5186190)
Show SMILES Cl.NC\C(=C/F)[C@@H]1Cc2ccccc2O1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589699
PNG
(CHEMBL5197971)
Show SMILES Cl.NCC(=CF)C1Cc2ccccc2O1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL2 assessed as inhibition of collagen cross linking compound replenishment for 5 days and measured on day 7 by UPL...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589697
PNG
(CHEMBL5194056)
Show SMILES NC\C(COc1ccccc1)=C/F
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505640
PNG
(CHEMBL4556859)
Show SMILES Cl.CN(C)S(=O)(=O)c1ccc(Cc2cn(C\C(F)=C\CN)nn2)cc1
Show InChI InChI=1S/C15H20FN5O2S/c1-20(2)24(22,23)15-5-3-12(4-6-15)9-14-11-21(19-18-14)10-13(16)7-8-17/h3-7,11H,8-10,17H2,1-2H3/b13-7-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells assessed as inhibition of collagen oxid...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LOXL3 (1 to 753 residues) expressed in CHO cells using putrescine as substrate preincubated wit...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589697
PNG
(CHEMBL5194056)
Show SMILES NC\C(COc1ccccc1)=C/F
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505653
PNG
(CHEMBL4458907)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C22H27FN4O4S2/c1-15-22(16-6-5-7-19(12-16)33(30,31)26(2)3)20-13-18(25-32(4,28)29)8-9-21(20)27(15)14-17(23)10-11-24/h5-10,12-13,25H,11,14,24H2,1-4H3/b17-10-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505658
PNG
(CHEMBL4581458)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12
Show InChI InChI=1S/C20H23FN4O2S/c1-14-19(15-6-4-7-17(12-15)28(26,27)24(2)3)20-18(8-5-11-23-20)25(14)13-16(21)9-10-22/h4-9,11-12H,10,13,22H2,1-3H3/b16-9-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505647
PNG
(CHEMBL4531065)
Show SMILES Cl.CN(C)S(=O)(=O)c1ccc(OCc2cn(C\C(F)=C\CN)nn2)c(Cl)c1
Show InChI InChI=1S/C15H19ClFN5O3S/c1-21(2)26(23,24)13-3-4-15(14(16)7-13)25-10-12-9-22(20-19-12)8-11(17)5-6-18/h3-5,7,9H,6,8,10,18H2,1-2H3/b11-5-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(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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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
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505657
PNG
(CHEMBL4467234)
Show SMILES Cl.CN(C)S(=O)(=O)c1ccc(NCc2cn(C\C(F)=C\CN)nn2)cc1
Show InChI InChI=1S/C15H21FN6O2S/c1-21(2)25(23,24)15-5-3-13(4-6-15)18-9-14-11-22(20-19-14)10-12(16)7-8-17/h3-7,11,18H,8-10,17H2,1-2H3/b12-7-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384083
PNG
(CHEMBL2029545)
Show SMILES NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H21FN2O2/c17-13(9-10-18)11-21-15-7-5-12(6-8-15)16(20)19-14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2,(H,19,20)/b13-9+
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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
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384095
PNG
(CHEMBL2029534)
Show SMILES CSc1ccc(OC\C(F)=C/CN)cc1
Show InChI InChI=1S/C11H14FNOS/c1-15-11-4-2-10(3-5-11)14-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
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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
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505643
PNG
(CHEMBL4582216)
Show SMILES Cl.CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
Show InChI InChI=1S/C24H29FN4O3S/c1-16-23(17-7-6-8-20(13-17)33(31,32)28(4)5)21-14-18(24(30)27(2)3)9-10-22(21)29(16)15-19(25)11-12-26/h6-11,13-14H,12,15,26H2,1-5H3/b19-11-
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Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589701
PNG
(CHEMBL5186898)
Show SMILES Cl.NC\C(=C\F)[C@H]1Cc2ccccc2O1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Retina-specific copper amine oxidase


(Homo sapiens (Human))
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50384087
PNG
(CHEMBL2029549)
Show SMILES C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m1/s1
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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
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