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PubMed code 17988109

Compile data set for download or QSAR
Found 11 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))
BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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Article
PubMed
5.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226485
PNG
((R)-3-(3-fluoro-4-(tetrahydro-2H-pyran-4-yl)phenyl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCOCC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-21-6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1
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PubMed
5.80E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226479
PNG
((R)-3-(3,5-difluoro-4-morpholinophenyl)-2-oxooxazo...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C14H15F2N3O4/c15-9-5-8(19-7-11(13(17)20)23-14(19)21)6-10(16)12(9)18-1-3-22-4-2-18/h5-6,11H,1-4,7H2,(H2,17,20)/t11-/m1/s1
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PubMed
6.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226484
PNG
((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O5S/c16-12-7-10(18-8-13(14(17)19)23-15(18)20)1-2-11(12)9-3-5-24(21,22)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1
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PubMed
1.05E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226480
PNG
((R)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidi...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C14H16FN3O4/c15-10-7-9(18-8-12(13(16)19)22-14(18)20)1-2-11(10)17-3-5-21-6-4-17/h1-2,7,12H,3-6,8H2,(H2,16,19)/t12-/m1/s1
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PubMed
1.46E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226481
PNG
((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1
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PubMed
2.93E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226482
PNG
((5R)-3-[3,5-difluoro-4-(1-oxidotetrahydro-2H-thiop...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1
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PubMed
3.55E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50226483
PNG
((5R)-3-[3-fluoro-4-(1-oxidotetrahydro-2H-thiopyran...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
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PubMed
n/an/a>9.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP1A2


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50226483
PNG
((5R)-3-[3-fluoro-4-(1-oxidotetrahydro-2H-thiopyran...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
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PubMed
n/an/a>9.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP2C19


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50226483
PNG
((5R)-3-[3-fluoro-4-(1-oxidotetrahydro-2H-thiopyran...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
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PubMed
n/an/a>9.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP2C9


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50226483
PNG
((5R)-3-[3-fluoro-4-(1-oxidotetrahydro-2H-thiopyran...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP2D6


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%