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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'iacovino' and Initial = 'lg'   
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))
BDBM50572883
PNG
(CHEMBL4865301)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)\C=C\c1ccccc1
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50572884
PNG
(CHEMBL571956)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\c1ccccc1
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50572885
PNG
(CHEMBL287445 | PNU-151774E)
Show SMILES CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50141532
PNG
((E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone | 1-(4...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
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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40n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50572882
PNG
(CHEMBL106824)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
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71n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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93n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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130n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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190n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
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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220n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506401
PNG
(CHEMBL4450588)
Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
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230n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50572881
PNG
(CHEMBL323025)
Show SMILES [O-][N+](=O)c1ccccc1\C=C\C(=O)c1ccccc1
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400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
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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970n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50506401
PNG
(CHEMBL4450588)
Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
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1.01E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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1.25E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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1.36E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506394
PNG
(CHEMBL4576799)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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1.38E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506394
PNG
(CHEMBL4576799)
Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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1.92E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50572881
PNG
(CHEMBL323025)
Show SMILES [O-][N+](=O)c1ccccc1\C=C\C(=O)c1ccccc1
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2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50572882
PNG
(CHEMBL106824)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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4.50E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50572883
PNG
(CHEMBL4865301)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)\C=C\c1ccccc1
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
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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5.68E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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6.55E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50572884
PNG
(CHEMBL571956)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\c1ccccc1
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9.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50141532
PNG
((E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone | 1-(4...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
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1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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1.46E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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1.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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1.73E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50572885
PNG
(CHEMBL287445 | PNU-151774E)
Show SMILES CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00238
BindingDB Entry DOI: 10.7270/Q2R78K1C
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 3.40n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506402
PNG
(CHEMBL4558431)
Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3
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n/an/a 7n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506417
PNG
(CHEMBL4465204)
Show SMILES FC(F)(F)c1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,5-8,15H,3-4,9-13H2
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n/an/a 11n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
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 12n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506400
PNG
(CHEMBL4458212)
Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 19n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506396
PNG
(CHEMBL4544548)
Show SMILES Brc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18BrN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 21n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00001
BindingDB Entry DOI: 10.7270/Q2R49VSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506421
PNG
(CHEMBL4440827)
Show SMILES CS(=O)(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C17H21NO2S/c1-3-12-18-13-10-16(11-14-18)5-4-15-6-8-17(9-7-15)21(2,19)20/h1,4-9,16H,10-14H2,2H3/b5-4+
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n/an/a 33n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506423
PNG
(CHEMBL4535439)
Show SMILES CCCc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H27N/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-15-20(14-4-2)16-13-19/h2,6-9,19H,3,5,10-16H2,1H3
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n/an/a 36n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
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 36n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506414
PNG
(CHEMBL4589551)
Show SMILES Clc1ccc(CCC2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H20ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2
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n/an/a 38n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506422
PNG
(CHEMBL4449776)
Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C1CC1
Show InChI InChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+
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n/an/a 44n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506429
PNG
(CHEMBL4572478)
Show SMILES CC(C)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C19H25N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,5-10,16,18H,11-15H2,2-3H3/b6-5+
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n/an/a 44n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506413
PNG
(CHEMBL4444081)
Show SMILES Clc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
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n/an/a 50n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506398
PNG
(CHEMBL4581765)
Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,3-8,16H,9-13H2/b4-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50506419
PNG
(CHEMBL4540242)
Show SMILES C#CCN1CCC(CCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C17H20N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,5-8,16H,3-4,9-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...


J Med Chem 63: 1361-1387 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01886
BindingDB Entry DOI: 10.7270/Q2X92FKV
More data for this
Ligand-Target Pair
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