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PubMed code 16451079

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))
BDBM50181856
PNG
(4-methyl-7-(2-oxocyclopentyloxy)-2H-chromen-2-one ...)
Show SMILES Cc1cc(=O)oc2cc(OC3CCCC3=O)ccc12
Show InChI InChI=1S/C15H14O4/c1-9-7-15(17)19-14-8-10(5-6-11(9)14)18-13-4-2-3-12(13)16/h5-8,13H,2-4H2,1H3
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PubMed
n/an/a 40n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181854
PNG
(9-(3-aminopropoxy)-7H-furo[3,2-g]chromen-7-one | C...)
Show SMILES NCCCOc1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C14H13NO4/c15-5-1-6-17-14-12-10(4-7-18-12)8-9-2-3-11(16)19-13(9)14/h2-4,7-8H,1,5-6,15H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181853
PNG
(7-acetonyloxy-3-acetylamino-8-methoxycoumarin | CH...)
Show SMILES COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
Show InChI InChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
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n/an/a 6.43E+3n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181850
PNG
(4-methyl-2H-benzofuro[3,2-g]chromen-2-one | CHEMBL...)
Show SMILES Cc1cc(=O)oc2cc3oc4ccccc4c3cc12
Show InChI InChI=1S/C16H10O3/c1-9-6-16(17)19-14-8-15-12(7-11(9)14)10-4-2-3-5-13(10)18-15/h2-8H,1H3
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PubMed
n/an/a 7.24E+3n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181858
PNG
(8-methoxy-4-methyl-7-(2-oxocyclohexyloxy)-2H-chrom...)
Show SMILES COc1c(OC2CCCCC2=O)ccc2c(C)cc(=O)oc12
Show InChI InChI=1S/C17H18O5/c1-10-9-15(19)22-16-11(10)7-8-14(17(16)20-2)21-13-6-4-3-5-12(13)18/h7-9,13H,3-6H2,1-2H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181851
PNG
(5-methyl-2,3-dihydro-1H-8,10-dioxa-pentaleno[1,2-b...)
Show SMILES Cc1cc(=O)oc2cc3oc4CCCc4c3cc12
Show InChI InChI=1S/C15H12O3/c1-8-5-15(16)18-13-7-14-11(6-10(8)13)9-3-2-4-12(9)17-14/h5-7H,2-4H2,1H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181852
PNG
(3-aminoacetamido-4'-methylfuro[3,2-g]coumarin | CH...)
Show SMILES Cc1coc2cc3oc(=O)c(NC(=O)CN)cc3cc12
Show InChI InChI=1S/C14H12N2O4/c1-7-6-19-12-4-11-8(2-9(7)12)3-10(14(18)20-11)16-13(17)5-15/h2-4,6H,5,15H2,1H3,(H,16,17)
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n/an/a 1.24E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181857
PNG
(5-methoxy-4-methyl-7-(2-oxocyclohexyloxy)-2H-chrom...)
Show SMILES COc1cc(OC2CCCCC2=O)cc2oc(=O)cc(C)c12
Show InChI InChI=1S/C17H18O5/c1-10-7-16(19)22-15-9-11(8-14(20-2)17(10)15)21-13-6-4-3-5-12(13)18/h7-9,13H,3-6H2,1-2H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181861
PNG
(3-amino-8-methoxy-4'-methylfuro[3,2-g]coumarin | C...)
Show SMILES COc1c2occ(C)c2cc2cc(N)c(=O)oc12
Show InChI InChI=1S/C13H11NO4/c1-6-5-17-11-8(6)3-7-4-9(14)13(15)18-10(7)12(11)16-2/h3-5H,14H2,1-2H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181849
PNG
(4-methyl-7-(2-oxocyclohexyloxy)-2H-chromen-2-one |...)
Show SMILES Cc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12
Show InChI InChI=1S/C16H16O4/c1-10-8-16(18)20-15-9-11(6-7-12(10)15)19-14-5-3-2-4-13(14)17/h6-9,14H,2-5H2,1H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181860
PNG
(4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen...)
Show SMILES Cc1cc(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C16H14O3/c1-9-6-16(17)19-14-8-15-12(7-11(9)14)10-4-2-3-5-13(10)18-15/h6-8H,2-5H2,1H3
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PubMed
n/an/a 6.53E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50041234
PNG
(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Show SMILES COc1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
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PubMed
n/an/a 8.51E+4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181855
PNG
(7-methoxy-4-methyl-5-(2-oxocyclohexyloxy)-2H-chrom...)
Show SMILES COc1cc(OC2CCCCC2=O)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C17H18O5/c1-10-7-16(19)22-15-9-11(20-2)8-14(17(10)15)21-13-6-4-3-5-12(13)18/h7-9,13H,3-6H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181859
PNG
(3-amino-7-hydroxy-8-methoxy-2H-chromen-2-one | CHE...)
Show SMILES COc1c(O)ccc2cc(N)c(=O)oc12
Show InChI InChI=1S/C10H9NO4/c1-14-9-7(12)3-2-5-4-6(11)10(13)15-8(5)9/h2-4,12H,11H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181862
PNG
(9-(3-(diethylamino)propoxy)-7H-furo[3,2-g]chromen-...)
Show SMILES CCN(CC)CCCOc1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C18H21NO4/c1-3-19(4-2)9-5-10-21-18-16-14(8-11-22-16)12-13-6-7-15(20)23-17(13)18/h6-8,11-12H,3-5,9-10H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%