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Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'rossi' and Initial = 'f'   
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] A


(Homo sapiens (Human))
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 4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604097
PNG
(CHEMBL5207056)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccc(F)cc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29142
PNG
(substituted chalcone, 5i)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C16H13ClO3/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,19H,1H3/b9-4+
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n/an/a 4.40n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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 4.5n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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 4.5n/an/an/an/an/an/a



Universit£ di Roma La Sapienza P.le Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells


Bioorg Med Chem Lett 20: 6479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.061
BindingDB Entry DOI: 10.7270/Q2HM59QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29134
PNG
(substituted chalcone, 5m)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,17,19H/b8-3+
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n/an/a 5.10n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin)


Eur J Med Chem 113: 214-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.047
BindingDB Entry DOI: 10.7270/Q2KD20TJ
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604085
PNG
(CHEMBL5195186)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccccc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604088
PNG
(CHEMBL5190571)
Show SMILES Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)N2CCCc3ccccc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604089
PNG
(CHEMBL5187135)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCCc3ccccc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
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 |r|
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 19n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
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 |r|
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 20n/an/an/an/an/an/a



Universit£ di Roma La Sapienza P.le Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells


Bioorg Med Chem Lett 20: 6479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.061
BindingDB Entry DOI: 10.7270/Q2HM59QH
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 |r|
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 20n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604087
PNG
(CHEMBL5196551)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccccc3C2)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29145
PNG
(substituted chalcone, 5l)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,17H/b10-3+
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n/an/a 31n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29140
PNG
(substituted chalcone, 5g)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
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n/an/a 54n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


Eur J Med Chem 113: 214-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.047
BindingDB Entry DOI: 10.7270/Q2KD20TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29146
PNG
(substituted chalcone, 5n)
Show SMILES Oc1cc(F)ccc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClFO2/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,19H/b8-3+
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n/an/a 71n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604096
PNG
(CHEMBL5185982)
Show SMILES Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccc(F)cc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310169
PNG
((S)(+)-7-methyl-2-phenylchroman-4-one | CHEMBL6012...)
Show SMILES Cc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3/t15-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310193
PNG
((+/-)-2-(4-fluorophenyl)-7-methylchroman-4-one | C...)
Show SMILES Cc1ccc2C(=O)CC(Oc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FO2/c1-10-2-7-13-14(18)9-15(19-16(13)8-10)11-3-5-12(17)6-4-11/h2-8,15H,9H2,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604099
PNG
(CHEMBL5185462)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3cccnc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310170
PNG
((R)(+)-7-methyl-2-phenylchroman-4-one | CHEMBL6018...)
Show SMILES Cc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3/t15-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310172
PNG
((R)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL598...)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310174
PNG
((R)(+)-7-fluoro-2-(4-fluorophenyl)chroman-4-one | ...)
Show SMILES Fc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2/t14-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310171
PNG
((S)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL597...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50412883
PNG
(CHEMBL472902)
Show SMILES CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H19FN2O/c1-3-19(23)22-18(15-6-4-13(2)5-7-15)12-17(21-22)14-8-10-16(20)11-9-14/h4-11,18H,3,12H2,1-2H3
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n/an/a 151n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOB


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50412882
PNG
(CHEMBL472918)
Show SMILES CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C18H16F2N2O/c1-2-18(23)22-17(13-5-9-15(20)10-6-13)11-16(21-22)12-3-7-14(19)8-4-12/h3-10,17H,2,11H2,1H3
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n/an/a 151n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOB


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310165
PNG
((S)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310171
PNG
((S)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL597...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29144
PNG
(substituted chalcone, 5k)
Show SMILES Oc1ccccc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+
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n/an/a 160n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310194
PNG
((+/-)-7-fluoro-2-(4-methoxyphenyl)chroman-4-one | ...)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccc(F)cc2O1
Show InChI InChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310165
PNG
((S)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310173
PNG
((S)(+)-7-fluoro-2-(4-fluorophenyl)chroman-4-one | ...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2/t14-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50417285
PNG
(CHEMBL1271944)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
Show InChI InChI=1S/C29H30N2O4/c1-20(2)15-16-34-25-13-14-26(29(33)17-25)27-18-28(31(30-27)21(3)32)23-9-11-24(12-10-23)35-19-22-7-5-4-6-8-22/h4-15,17,28,33H,16,18-19H2,1-3H3
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n/an/a 174n/an/an/an/an/an/a



Universit£ di Roma La Sapienza P.le Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells


Bioorg Med Chem Lett 20: 6479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.061
BindingDB Entry DOI: 10.7270/Q2HM59QH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50412876
PNG
(CHEMBL472716)
Show SMILES CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C18H16Cl2N2O/c1-2-18(23)22-17(13-5-9-15(20)10-6-13)11-16(21-22)12-3-7-14(19)8-4-12/h3-10,17H,2,11H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOA


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50412880
PNG
(CHEMBL474940)
Show SMILES CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C18H17FN2O/c1-2-18(22)21-17(14-6-4-3-5-7-14)12-16(20-21)13-8-10-15(19)11-9-13/h3-11,17H,2,12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOB


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310166
PNG
((R)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50412872
PNG
(CHEMBL514297)
Show SMILES CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C18H17ClN2O/c1-2-18(22)21-17(14-8-10-15(19)11-9-14)12-16(20-21)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOA


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604095
PNG
(CHEMBL5199629)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3cc(F)ccc23)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM22999
PNG
(N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylph...)
Show SMILES CCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
Show InChI InChI=1S/C23H28N2O2/c1-2-3-4-6-17-7-5-8-18(13-17)14-23(27)24-12-11-19-16-25-22-10-9-20(26)15-21(19)22/h5,7-10,13,15-16,25-26H,2-4,6,11-12,14H2,1H3,(H,24,27)
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n/an/a 240n/an/an/an/an/an/a



University of Rome La Sapienza



Assay Description
The antagonistic effects of test compounds were evaluated using HEK293 cells stably overexpressing human TRPV1. Experiments were carried out by measu...


J Med Chem 50: 6554-69 (2007)


Article DOI: 10.1021/jm070678q
BindingDB Entry DOI: 10.7270/Q2JH3JGS
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604100
PNG
(CHEMBL5184913)
Show SMILES Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccc(F)cc3C2)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604101
PNG
(CHEMBL5187563)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3ccc(F)cc3C2)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50417282
PNG
(CHEMBL1272057)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
Show InChI InChI=1S/C28H29N3O3S/c1-19(2)14-15-33-23-12-13-24(27(32)16-23)25-17-26(31(30-25)28(29)35)21-8-10-22(11-9-21)34-18-20-6-4-3-5-7-20/h3-14,16,26,32H,15,17-18H2,1-2H3,(H2,29,35)
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n/an/a 269n/an/an/an/an/an/a



Universit£ di Roma La Sapienza P.le Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells


Bioorg Med Chem Lett 20: 6479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.061
BindingDB Entry DOI: 10.7270/Q2HM59QH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM22987
PNG
((5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 270n/an/an/an/an/an/a



University of Rome La Sapienza



Assay Description
The antagonistic effects of test compounds were evaluated using HEK293 cells stably overexpressing human TRPV1. Experiments were carried out by measu...


J Med Chem 50: 6554-69 (2007)


Article DOI: 10.1021/jm070678q
BindingDB Entry DOI: 10.7270/Q2JH3JGS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50417285
PNG
(CHEMBL1271944)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
Show InChI InChI=1S/C29H30N2O4/c1-20(2)15-16-34-25-13-14-26(29(33)17-25)27-18-28(31(30-27)21(3)32)23-9-11-24(12-10-23)35-19-22-7-5-4-6-8-22/h4-15,17,28,33H,16,18-19H2,1-3H3
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n/an/a 316n/an/an/an/an/an/a



Universit£ di Roma La Sapienza P.le Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells


Bioorg Med Chem Lett 20: 6479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.061
BindingDB Entry DOI: 10.7270/Q2HM59QH
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50604077
PNG
(CHEMBL5196771)
Show SMILES Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NC2CCCCNC2=O)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02203
BindingDB Entry DOI: 10.7270/Q23200ZS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial MAOA


Eur J Med Chem 43: 2262-7 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.026
BindingDB Entry DOI: 10.7270/Q28053T0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM23000
PNG
(JMC506554 Compound 1m | N-[2-(5-hydroxy-1H-indol-3...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)Cc3cccc(c3)-c3ccccc3)c2c1
Show InChI InChI=1S/C24H22N2O2/c27-21-9-10-23-22(15-21)20(16-26-23)11-12-25-24(28)14-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-10,13,15-16,26-27H,11-12,14H2,(H,25,28)
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n/an/a 430n/an/an/an/an/an/a



University of Rome La Sapienza



Assay Description
The antagonistic effects of test compounds were evaluated using HEK293 cells stably overexpressing human TRPV1. Experiments were carried out by measu...


J Med Chem 50: 6554-69 (2007)


Article DOI: 10.1021/jm070678q
BindingDB Entry DOI: 10.7270/Q2JH3JGS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29141
PNG
(substituted chalcone, 5h)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c1-25-21-14-10-20(11-15-21)23(24)16-9-18-7-12-22(13-8-18)26-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3/b16-9+
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n/an/a 450n/an/an/an/a7.437



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 2818-24 (2009)


Article DOI: 10.1021/jm801590u
BindingDB Entry DOI: 10.7270/Q2X63K8T
More data for this
Ligand-Target Pair
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