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Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'jang' and Initial = 'bk'   
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))
BDBM50181821
PNG
(CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...)
Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2
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6.90n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B using varying level of benzylamine substrate preincubated for 15 mins followed by substrate additio...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 8n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] 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 8n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50181821
PNG
(CHEMBL202071 | O-(p-trifluoromethyl)benzyl-tyramin...)
Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20/h1-8H,9-11,20H2
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n/an/a 9n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152636
PNG
((2E)-1-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-14-9-6-13(7-10-14)16(21)11-8-12-4-2-3-5-15(12)17(18,19)20/h2-11H,1H3/b11-8+
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n/an/a 16n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452674
PNG
(RG-1577 | Sembragiline)
Show SMILES CC(=O)N[C@@H]1CN(C(=O)C1)c1ccc(OCc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c1-13(23)21-16-10-19(24)22(11-16)17-5-7-18(8-6-17)25-12-14-3-2-4-15(20)9-14/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452654
PNG
(CHEMBL4207154)
Show SMILES Cl.NCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N/c16-15(17,18)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-19/h1-8H,9-10,19H2
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n/an/a 41n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152633
PNG
((2E)-3-(2-fluorophenyl)-1-(4-methoxyphenyl)prop-2-...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C16H13FO2/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+
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n/an/a 56n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117994
PNG
(CHEMBL3613158)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29)
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n/an/a 57n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452673
PNG
(CHEMBL4215203)
Show SMILES Cl.NCCc1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H16ClNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9-11,17H2
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n/an/a 59n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452637
PNG
(CHEMBL4210273)
Show SMILES Cl.NCCc1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H16ClNO/c16-14-3-1-2-13(10-14)11-18-15-6-4-12(5-7-15)8-9-17/h1-7,10H,8-9,11,17H2
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n/an/a 62n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117988
PNG
(CHEMBL2013137)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
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n/an/a 69n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50181813
PNG
(CHEMBL201864 | O-(p-fluoro)benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H16FNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9-11,17H2
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n/an/a 109n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452633
PNG
(CHEMBL4215006)
Show SMILES Cl.NCCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-3-1-2-13(10-14)11-21-15-6-4-12(5-7-15)8-9-20/h1-7,10H,8-9,11,20H2
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n/an/a 110n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452634
PNG
(CHEMBL4216145)
Show SMILES Cl.NCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H14F3NO/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14/h1-8H,9-10,19H2
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n/an/a 136n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117979
PNG
(CHEMBL1802004)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H26N4O2S/c1-4-8-23-28-20(14-31-23)16-9-7-10-17(11-16)27-24-18-12-21(29-5-2)22(30-6-3)13-19(18)25-15-26-24/h7,9-15H,4-6,8H2,1-3H3,(H,25,26,27)
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n/an/a 145n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452667
PNG
(CHEMBL4210764)
Show SMILES Cl.COc1cccc(COc2ccc(CN)cc2)c1
Show InChI InChI=1S/C15H17NO2/c1-17-15-4-2-3-13(9-15)11-18-14-7-5-12(10-16)6-8-14/h2-9H,10-11,16H2,1H3
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Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50042986
PNG
((E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452639
PNG
(CHEMBL4218204)
Show SMILES Cl.NCCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C15H16FNO/c16-14-3-1-2-13(10-14)11-18-15-6-4-12(5-7-15)8-9-17/h1-7,10H,8-9,11,17H2
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Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM152637
PNG
((2E)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3O2/c1-22-15-9-5-13(6-10-15)16(21)11-4-12-2-7-14(8-3-12)17(18,19)20/h2-11H,1H3/b11-4+
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50118006
PNG
(CHEMBL3613273)
Show SMILES Fc1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H18N4O2S/c1-12-23-17(10-27-12)13-5-4-6-14(7-13)24-20-15-8-18(25-2)19(26-3)9-16(15)21-11-22-20/h4-11H,1-3H3,(H,21,22,24)
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n/an/a 223n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117982
PNG
(CHEMBL1801962)
Show SMILES COc1ccccc1C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22N6O2S/c1-3-28-18-9-15-16(10-19(18)29-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-30-21(26-17)27-22/h5-12H,3-4,22H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/a 253n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452631
PNG
(CHEMBL3094320)
Show SMILES Cl.NCc1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H14ClNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
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n/an/a 257n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452661
PNG
(CHEMBL4213137)
Show SMILES NC(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H12FNO2/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H2,16,17)
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n/an/a 271n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50118004
PNG
(CHEMBL3613271)
Show SMILES Fc1cccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H21F3N4O2S/c1-4-31-20-9-17-18(10-21(20)32-5-2)27-12-28-22(17)30-16-7-14(19-11-33-13(3)29-19)6-15(8-16)23(24,25)26/h6-12H,4-5H2,1-3H3,(H,27,28,30)
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n/an/a 283n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452645
PNG
(CHEMBL4214069)
Show SMILES Cl.COc1ccc(COc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C15H17NO2/c1-17-14-6-4-13(5-7-14)11-18-15-8-2-12(10-16)3-9-15/h2-9H,10-11,16H2,1H3
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n/an/a 283n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50181810
PNG
(CHEMBL202183 | O-(m-methoxy)benzyl-tyramine)
Show SMILES COc1cccc(COc2ccc(CCN)cc2)c1
Show InChI InChI=1S/C16H19NO2/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9-10,12,17H2,1H3
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Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452649
PNG
(CHEMBL4214881)
Show SMILES Cl.NCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H14F3NO/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-6-4-11(9-19)5-7-14/h1-8H,9-10,19H2
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n/an/a 387n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452664
PNG
(CHEMBL4218134)
Show SMILES Cl.NCCc1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C15H16FNO/c16-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)9-10-17/h1-8H,9-11,17H2
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Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452643
PNG
(CHEMBL4204803)
Show SMILES Cl.Nc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H12F3NO/c15-14(16,17)11-3-1-10(2-4-11)9-19-13-7-5-12(18)6-8-13/h1-8H,9,18H2
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Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117990
PNG
(CHEMBL2236844)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1OC
Show InChI InChI=1S/C25H29N5O2S/c1-6-31-22-12-19-20(13-23(22)32-7-2)28-24(14-30(4)5)29-25(19)27-18-10-8-9-17(11-18)21-15-33-16(3)26-21/h8-13,15H,6-7,14H2,1-5H3,(H,27,28,29)
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n/an/a 419n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452646
PNG
(CHEMBL3094311)
Show SMILES Cl.NCc1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H14ClNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,9-10,16H2
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n/an/a 440n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452668
PNG
(CHEMBL3094319)
Show SMILES Cl.NCc1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H14FNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,9-10,16H2
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n/an/a 452n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50141532
PNG
((E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone | 1-(4...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
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n/an/a 471n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50118005
PNG
(CHEMBL3613272)
Show SMILES Fc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClN4O2S/c1-4-29-20-10-17-18(11-21(20)30-5-2)27-22(12-24)28-23(17)26-16-8-6-7-15(9-16)19-13-31-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,26,27,28)
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n/an/a 580n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117995
PNG
(CHEMBL3260398)
Show SMILES COc1ccccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C21H20N4O2S/c1-4-27-20-10-17-16(9-19(20)26-3)21(23-12-22-17)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
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n/an/a 624n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452651
PNG
(CHEMBL4202806)
Show SMILES Cl.NCCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9-10,16H2
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n/an/a 625n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452671
PNG
(CHEMBL4212044)
Show SMILES NC(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO2/c16-15(17,18)12-5-1-10(2-6-12)9-21-13-7-3-11(4-8-13)14(19)20/h1-8H,9H2,(H2,19,20)
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n/an/a 642n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117981
PNG
(CHEMBL1801958)
Show SMILES COc1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C25H28N4O2S/c1-5-9-24-28-20-14-23(31-7-3)22(30-6-2)13-19(20)25(29-24)27-18-11-8-10-17(12-18)21-15-32-16(4)26-21/h8,10-15H,5-7,9H2,1-4H3,(H,27,28,29)
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n/an/a 793n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452647
PNG
(CHEMBL3094318)
Show SMILES Cl.NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
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n/an/a 926n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50118011
PNG
(CHEMBL3613276)
Show SMILES COc1ccc(OC(=O)\C=C\c2ccccc2Cl)cc1
Show InChI InChI=1S/C22H21FN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
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n/an/a 937n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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>1.00E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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>1.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452641
PNG
(CHEMBL4206777)
Show SMILES NC(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO2/c16-15(17,18)12-3-1-2-10(8-12)9-21-13-6-4-11(5-7-13)14(19)20/h1-8H,9H2,(H2,19,20)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)


Article DOI: 10.1016/j.bmc.2017.11.036
BindingDB Entry DOI: 10.7270/Q2959M4S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50117991
PNG
(CHEMBL3613068)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(OC)c1
Show InChI InChI=1S/C22H20F2N4O2S/c1-4-29-20-7-14-17(9-21(20)30-5-2)25-11-26-22(14)28-18-6-13(15(23)8-16(18)24)19-10-31-12(3)27-19/h6-11H,4-5H2,1-3H3,(H,25,26,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis


Bioorg Med Chem 23: 6486-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.012
BindingDB Entry DOI: 10.7270/Q2MK6FPP
More data for this
Ligand-Target Pair
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