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Compile Data Set for Download or QSAR

Found 1102 hits of ki data for polymerid = 1129,384   
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] A


(Homo sapiens (Human))
CHEMBL5271774
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
UniChem
0.0140n/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))
CHEMBL5291452
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
UniChem
0.100n/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))
CHEMBL5282135
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
UniChem
0.100n/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))
CHEMBL5284128
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
UniChem
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

antibodypedia
GoogleScholar
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CHEMBL
UniChem
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

antibodypedia
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CHEMBL
UniChem
0.100n/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))
CHEMBL5269241
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
0.100n/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))
CHEMBL5283319
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
0.100n/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))
CHEMBL5276967
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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

antibodypedia
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UniChem
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



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


(Homo sapiens (Human))
CHEMBL5280524
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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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))
CHEMBL5272772
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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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))
CHEMBL5271570
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))
CHEMBL5268306
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))
CHEMBL5273835
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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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))
CHEMBL5284012
PNG
PDB

UniProtKB/SwissProt

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


TBA



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


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
PDB
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0.300n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
CHEMBL5270286
PNG
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
UniChem
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



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


(Rattus norvegicus (rat))
BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
PDB
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0.800n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
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
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50557363
PNG
(CHEMBL4757953)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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Article
PubMed
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



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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


(Rattus norvegicus (rat))
BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
PDB
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1.40n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
PDB
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1.5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
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


(Rattus norvegicus (rat))
BDBM50168981
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A


J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
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))
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


(Rattus norvegicus (rat))
BDBM50087803
PNG
(1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...)
Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
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4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049679
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dio...)
Show SMILES CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C18H16N2O3S/c1-2-11-3-6-15-14(9-11)17(21)13-5-4-12(18-19-7-8-20-18)10-16(13)24(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
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4n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
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))
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))
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))
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


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11|
Show InChI InChI=1S/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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4.22n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087794
PNG
(But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3
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4.30n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
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))
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
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