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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'mialet-perez' and Initial = 'j'   
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))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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0.310n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-A...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453019
PNG
(CHEMBL4206812)
Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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7.5n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxid...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453019
PNG
(CHEMBL4206812)
Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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17n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453026
PNG
(CHEMBL4204513)
Show SMILES Brc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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27n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453018
PNG
(CHEMBL4203592)
Show SMILES Fc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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31n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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55n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453017
PNG
(CHEMBL4215788)
Show SMILES Clc1cccc(NCc2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H12ClNO2/c17-12-4-3-5-13(8-12)18-9-11-10-20-15-7-2-1-6-14(15)16(11)19/h1-8,10,18H,9H2
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2.93E+3n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair