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PubMed code 25732770

Compile data set for download or QSAR
Found 12 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 3.10n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM50078675
PNG
(CHEMBL3415444)
Show SMILES CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H18ClN3O3.BrH/c1-2-28-21(27)19(25-12-11-16-5-3-4-6-17(16)14-25)20(26)24-23-13-15-7-9-18(22)10-8-15;/h3-14,19H,2H2,1H3;1H/b23-13+;
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n/an/a 3.60n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078676
PNG
(CHEMBL3415443)
Show SMILES CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N4O5.BrH/c1-2-30-21(27)19(24-12-11-16-5-3-4-6-17(16)14-24)20(26)23-22-13-15-7-9-18(10-8-15)25(28)29;/h3-14,19H,2H2,1H3;1H/b22-13+;
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n/an/a 3.80n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078678
PNG
(CHEMBL3415441)
Show SMILES N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+
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n/an/a 3.80n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078677
PNG
(CHEMBL3415442)
Show SMILES N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H7ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H,9H2/b10-5+
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n/an/a 3.90n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078678
PNG
(CHEMBL3415441)
Show SMILES N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+
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n/an/a 4.90n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078679
PNG
(CHEMBL3415439)
Show SMILES CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N2O3/c1-2-27-22(26)20(21(25)23-14-12-17-8-4-3-5-9-17)24-15-13-18-10-6-7-11-19(18)16-24/h3-11,13,15-16,20H,2,12,14H2,1H3/p+1
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n/an/a 6.20n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078675
PNG
(CHEMBL3415444)
Show SMILES CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H18ClN3O3.BrH/c1-2-28-21(27)19(25-12-11-16-5-3-4-6-17(16)14-25)20(26)24-23-13-15-7-9-18(22)10-8-15;/h3-14,19H,2H2,1H3;1H/b23-13+;
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n/an/a 6.60n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078676
PNG
(CHEMBL3415443)
Show SMILES CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N4O5.BrH/c1-2-30-21(27)19(24-12-11-16-5-3-4-6-17(16)14-24)20(26)23-22-13-15-7-9-18(10-8-15)25(28)29;/h3-14,19H,2H2,1H3;1H/b22-13+;
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n/an/a 7.40n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078677
PNG
(CHEMBL3415442)
Show SMILES N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H7ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H,9H2/b10-5+
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n/an/a 7.40n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50078679
PNG
(CHEMBL3415439)
Show SMILES CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N2O3/c1-2-27-22(26)20(21(25)23-14-12-17-8-4-3-5-9-17)24-15-13-18-10-6-7-11-19(18)16-24/h3-11,13,15-16,20H,2,12,14H2,1H3/p+1
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n/an/a 7.70n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
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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n/an/a 9.40n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%