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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50037114   
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


(Bos taurus)
BDBM50110715
PNG
(5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110719
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110714
PNG
(5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES OC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m1/s1
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90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110717
PNG
(5-Azidomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES [N-]=[N+]=NC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H9N5O2/c9-11-10-5-7-6-13(8(14)15-7)12-3-1-2-4-12/h1-4,7H,5-6H2/t7-/m0/s1
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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110715
PNG
(5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
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220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50370193
PNG
(CHEMBL1794849)
Show SMILES OC[C@H]1CN(C(=O)O1)n1cccc1 |r|
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m1/s1
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270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
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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380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110723
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110724
PNG
(5-Aminomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES NC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H11N3O2/c9-5-7-6-11(8(12)13-7)10-3-1-2-4-10/h1-4,7H,5-6,9H2/t7-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110716
PNG
(5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES OC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110716
PNG
(5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES OC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50370193
PNG
(CHEMBL1794849)
Show SMILES OC[C@H]1CN(C(=O)O1)n1cccc1 |r|
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110720
PNG
(5-Azidomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES [N-]=[N+]=NC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H9N5O2/c9-11-10-5-7-6-13(8(14)15-7)12-3-1-2-4-12/h1-4,7H,5-6H2/t7-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110721
PNG
(5-Aminomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES NC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H11N3O2/c9-5-7-6-11(8(12)13-7)10-3-1-2-4-10/h1-4,7H,5-6,9H2/t7-/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110714
PNG
(5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES OC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110723
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110720
PNG
(5-Azidomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES [N-]=[N+]=NC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H9N5O2/c9-11-10-5-7-6-13(8(14)15-7)12-3-1-2-4-12/h1-4,7H,5-6H2/t7-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110724
PNG
(5-Aminomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES NC[C@@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H11N3O2/c9-5-7-6-11(8(12)13-7)10-3-1-2-4-10/h1-4,7H,5-6,9H2/t7-/m1/s1
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3.40E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110718
PNG
(5-Dimethylaminomethyl-3-pyrrol-1-yl-oxazolidin-2-o...)
Show SMILES CN(C)C[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C10H15N3O2/c1-11(2)7-9-8-13(10(14)15-9)12-5-3-4-6-12/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110719
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50110721
PNG
(5-Aminomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES NC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H11N3O2/c9-5-7-6-11(8(12)13-7)10-3-1-2-4-10/h1-4,7H,5-6,9H2/t7-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110718
PNG
(5-Dimethylaminomethyl-3-pyrrol-1-yl-oxazolidin-2-o...)
Show SMILES CN(C)C[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C10H15N3O2/c1-11(2)7-9-8-13(10(14)15-9)12-5-3-4-6-12/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.40E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110717
PNG
(5-Azidomethyl-3-pyrrol-1-yl-oxazolidin-2-one | CHE...)
Show SMILES [N-]=[N+]=NC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C8H9N5O2/c9-11-10-5-7-6-13(8(14)15-7)12-3-1-2-4-12/h1-4,7H,5-6H2/t7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair