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Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'tzvetkov' and Initial = 'nt'   
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))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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Article
PubMed
0.170n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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PubMed
0.290n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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 recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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PubMed
0.640n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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PubMed
3.60n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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PubMed
n/an/a 0.227n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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Article
PubMed
n/an/a 0.386n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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Article
PubMed
n/an/a 0.386n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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PubMed
n/an/a 0.389n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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PubMed
n/an/a 0.586n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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Article
PubMed
n/an/a 0.586n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046948
PNG
(CHEMBL3319272)
Show SMILES Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)/b17-7+
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Article
PubMed
n/an/a 0.612n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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PubMed
n/an/a 0.661n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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PubMed
n/an/a 0.662n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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Article
PubMed
n/an/a 0.668n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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PubMed
n/an/a 0.679n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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PubMed
n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046949
PNG
(CHEMBL3319273)
Show SMILES Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C15H11Cl2N3/c1-20-15-5-2-10(6-11(15)9-19-20)8-18-12-3-4-13(16)14(17)7-12/h2-9H,1H3/b18-8+
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n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046944
PNG
(CHEMBL3319269)
Show SMILES Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-7-6-10-8-11(2-5-15(10)20)16(21)19-12-3-4-13(17)14(18)9-12/h2-9H,1H3,(H,19,21)
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PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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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n/an/a 1.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 1.40n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232427
PNG
(CHEMBL4070309)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 1.5n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 1.60n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 1.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046944
PNG
(CHEMBL3319269)
Show SMILES Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-7-6-10-8-11(2-5-15(10)20)16(21)19-12-3-4-13(17)14(18)9-12/h2-9H,1H3,(H,19,21)
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n/an/a 2.30n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a 3.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mins


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046948
PNG
(CHEMBL3319272)
Show SMILES Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)/b17-7+
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n/an/a 3.70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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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n/an/a 3.80n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mins


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046873
PNG
(CHEMBL3319252)
Show SMILES COc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-7-11(3-4-12(14)16)18-15(20)9-2-5-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a 4.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046949
PNG
(CHEMBL3319273)
Show SMILES Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C15H11Cl2N3/c1-20-15-5-2-10(6-11(15)9-19-20)8-18-12-3-4-13(16)14(17)7-12/h2-9H,1H3/b18-8+
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n/an/a 4.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046871
PNG
(CHEMBL3319254)
Show SMILES Clc1cc(NC(=O)c2ccc3[nH]ncc3c2)cnc1Cl
Show InChI InChI=1S/C13H8Cl2N4O/c14-10-4-9(6-16-12(10)15)18-13(20)7-1-2-11-8(3-7)5-17-19-11/h1-6H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232427
PNG
(CHEMBL4070309)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
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