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Compile Data Set for Download or QSAR

Found 930 hits of ki for UniProtKB: P21397   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5271774
PNG
PDB

UniProtKB/SwissProt

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0.0140n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5291452
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5282135
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5284128
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5290358
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5275680
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5269241
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5283319
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5276967
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5272518
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5270226
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5280524
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5272772
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5271570
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5268306
PNG
PDB

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5273835
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5284012
PNG
PDB

UniProtKB/SwissProt

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0.100n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5270286
PNG
PDB

UniProtKB/SwissProt

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0.346n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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0.480n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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0.5n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50179395
PNG
(CHEMBL14640)
Show SMILES C(Oc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 binding sites in rabbit kidney membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50179395
PNG
(CHEMBL14640)
Show SMILES C(Oc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557363
PNG
(CHEMBL4757953)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557339
PNG
(CHEMBL4748517)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557360
PNG
(CHEMBL4787516)
Show SMILES O=C(Cn1c2ccccc2oc1=O)N\N=C(/C=C/c1ccccc1)\c1ccccc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557361
PNG
(CHEMBL4761363)
Show SMILES COc1cccc(\C=C\C(=N/NC(=O)Cn2c3ccccc3oc2=O)\c2ccccc2)c1
PDB

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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557366
PNG
(CHEMBL4787184)
Show SMILES COc1ccccc1\C=C\C(=N/NC(=O)Cn1c2cc(Cl)ccc2oc1=O)\c1ccccc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557368
PNG
(CHEMBL4762228)
Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50138499
PNG
(2-Phenethyl-4,5-dihydro-1H-imidazole | CHEMBL14210)
Show SMILES C(Cc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50333418
PNG
(7-(4,4,4-Trifluorobutoxy)-1-methyl-beta-carboline ...)
Show SMILES Cc1nccc2c3ccc(OCCCC(F)(F)F)cc3[nH]c12
Show InChI InChI=1S/C16H15F3N2O/c1-10-15-13(5-7-20-10)12-4-3-11(9-14(12)21-15)22-8-2-6-16(17,18)19/h3-5,7,9,21H,2,6,8H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50333415
PNG
(7-(Isobutyloxy)-1-methyl-beta-carboline | CHEMBL16...)
Show SMILES CC(C)COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C16H18N2O/c1-10(2)9-19-12-4-5-13-14-6-7-17-11(3)16(14)18-15(13)8-12/h4-8,10,18H,9H2,1-3H3
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3.90n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate by Lineweaver-Burk...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557330
PNG
(CHEMBL4794193)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:10|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557355
PNG
(CHEMBL4788778)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557362
PNG
(CHEMBL4764828)
Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50333419
PNG
(7-(Cyclohexylmethoxy)-1-methyl-beta-carboline | CH...)
Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12
Show InChI InChI=1S/C19H22N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50289513
PNG
(CHEMBL4169527)
Show SMILES Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(F)c1
Show InChI InChI=1S/C20H18F2N4OS/c21-15-3-6-17(18(22)11-15)19-13-28-20(24-19)25-23-12-14-1-4-16(5-2-14)26-7-9-27-10-8-26/h1-6,11-13H,7-10H2,(H,24,25)/b23-12+
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4.40n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Reversible-competitive inhibition of human MAO-A using varying levels of tyramine as substrate after 30 mins by Lineweaver-Burk plot


Eur J Med Chem 144: 68-81 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.013
BindingDB Entry DOI: 10.7270/Q2833VK7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110719
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
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4.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557341
PNG
(CHEMBL4744188)
Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:11|
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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5n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem Lett 20: 537-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.106
BindingDB Entry DOI: 10.7270/Q2000264
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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