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PubMed code 26428872

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Monoamine oxidase


(Bos taurus)
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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Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
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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PubMed
n/an/a 13n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50065305
PNG
(3-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-1,3-dihydr...)
Show SMILES Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 18n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130935
PNG
(CHEMBL3633200)
Show SMILES Brc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
Show InChI InChI=1S/C15H10BrNO/c16-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 27n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130934
PNG
(CHEMBL3633198)
Show SMILES Clc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130936
PNG
(CHEMBL3633204)
Show SMILES Brc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C13H8BrNOS/c14-12-6-5-8(17-12)7-10-9-3-1-2-4-11(9)15-13(10)16/h1-7H,(H,15,16)/b10-7-
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PubMed
n/an/a 35n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%