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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50044656   
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))
BDBM50023732
PNG
(CHEMBL3330339)
Show SMILES OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1
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n/an/a 7n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023746
PNG
(CHEMBL3330328)
Show SMILES Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023741
PNG
(CHEMBL3330334)
Show SMILES Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1
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n/an/a 21n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023732
PNG
(CHEMBL3330339)
Show SMILES OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023731
PNG
(CHEMBL3330331)
Show SMILES Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15+;/m0./s1
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n/an/a 83n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023744
PNG
(CHEMBL3330340)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 88n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023747
PNG
(CHEMBL3330341)
Show SMILES Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1
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n/an/a 94n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023747
PNG
(CHEMBL3330341)
Show SMILES Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1
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n/an/a 131n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023731
PNG
(CHEMBL3330331)
Show SMILES Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023746
PNG
(CHEMBL3330328)
Show SMILES Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023745
PNG
(CHEMBL3330329)
Show SMILES Cl.CC[C@@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11-;/m1./s1
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n/an/a 190n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023741
PNG
(CHEMBL3330334)
Show SMILES Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023742
PNG
(CHEMBL3330333)
Show SMILES Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H19N.ClH/c21-20(14-19(20)17-7-2-1-3-8-17)13-15-10-11-16-6-4-5-9-18(16)12-15;/h1-12,19H,13-14,21H2;1H/t19-,20+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023733
PNG
(CHEMBL3330337)
Show SMILES Cl.N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m0./s1
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n/an/a 235n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023735
PNG
(CHEMBL3330338)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023743
PNG
(CHEMBL3330330)
Show SMILES Cl.CCC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C12H17N.ClH/c1-2-8-12(13)9-11(12)10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-,12+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023743
PNG
(CHEMBL3330330)
Show SMILES Cl.CCC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C12H17N.ClH/c1-2-8-12(13)9-11(12)10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-,12+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023733
PNG
(CHEMBL3330337)
Show SMILES Cl.N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023743
PNG
(CHEMBL3330330)
Show SMILES Cl.CCC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C12H17N.ClH/c1-2-8-12(13)9-11(12)10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-,12+;/m0./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023744
PNG
(CHEMBL3330340)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023748
PNG
(CHEMBL3330332)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023745
PNG
(CHEMBL3330329)
Show SMILES Cl.CC[C@@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11-;/m1./s1
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n/an/a 779n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023741
PNG
(CHEMBL3330334)
Show SMILES Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1
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n/an/a 941n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023740
PNG
(CHEMBL3330336)
Show SMILES Cl.CC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m0./s1
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n/an/a 975n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023734
PNG
(CHEMBL3330335)
Show SMILES Cl.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1
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n/an/a 998n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.19E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023734
PNG
(CHEMBL3330335)
Show SMILES Cl.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023742
PNG
(CHEMBL3330333)
Show SMILES Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H19N.ClH/c21-20(14-19(20)17-7-2-1-3-8-17)13-15-10-11-16-6-4-5-9-18(16)12-15;/h1-12,19H,13-14,21H2;1H/t19-,20+;/m0./s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023744
PNG
(CHEMBL3330340)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023746
PNG
(CHEMBL3330328)
Show SMILES Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023734
PNG
(CHEMBL3330335)
Show SMILES Cl.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023745
PNG
(CHEMBL3330329)
Show SMILES Cl.CC[C@@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11-;/m1./s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023735
PNG
(CHEMBL3330338)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16+;/m0./s1
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n/an/a 2.59E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023732
PNG
(CHEMBL3330339)
Show SMILES OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1
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n/an/a 3.26E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023748
PNG
(CHEMBL3330332)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1
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n/an/a 3.51E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023733
PNG
(CHEMBL3330337)
Show SMILES Cl.N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m0./s1
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n/an/a 5.55E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023740
PNG
(CHEMBL3330336)
Show SMILES Cl.CC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m0./s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50023753
PNG
(CHEMBL3330342)
Show SMILES Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16+;/m1./s1
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n/an/a 8.31E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023755
PNG
(CHEMBL3330345)
Show SMILES N[C@@]1(CO)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13NO/c11-10(7-12)6-9(10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m0/s1
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n/an/a 9.13E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023731
PNG
(CHEMBL3330331)
Show SMILES Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15+;/m0./s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023747
PNG
(CHEMBL3330341)
Show SMILES Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.16E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023742
PNG
(CHEMBL3330333)
Show SMILES Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H19N.ClH/c21-20(14-19(20)17-7-2-1-3-8-17)13-15-10-11-16-6-4-5-9-18(16)12-15;/h1-12,19H,13-14,21H2;1H/t19-,20+;/m0./s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023735
PNG
(CHEMBL3330338)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16+;/m0./s1
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n/an/a 2.81E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023740
PNG
(CHEMBL3330336)
Show SMILES Cl.CC[C@@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m0./s1
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n/an/a 3.33E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023748
PNG
(CHEMBL3330332)
Show SMILES Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1
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n/an/a 5.05E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50023753
PNG
(CHEMBL3330342)
Show SMILES Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16+;/m1./s1
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n/an/a 7.43E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023756
PNG
(CHEMBL3330344)
Show SMILES N[C@]1(C[C@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C10H11NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50023757
PNG
(CHEMBL3330343)
Show SMILES CCOC(=O)[C@]1(N)C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-15-11(14)12(13)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3/t10-,12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K...


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair