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PubMed code 12467619

Compile data set for download or QSAR
Found 12 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] B


(Homo sapiens (Human))
BDBM50121688
PNG
(3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...)
Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3
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n/an/a 0.0140n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121685
PNG
(5-(4,4,4-Trifluoro-butoxy)-indan-1-one | CHEMBL414...)
Show SMILES FC(F)(F)CCCOc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C13H13F3O2/c14-13(15,16)6-1-7-18-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,1-2,5-7H2
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n/an/a 0.318n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029815
PNG
(3-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-propionit...)
Show SMILES N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 2n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029825
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...)
Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 2.20n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029838
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-thioxo-[1,3,4]oxadiazo...)
Show SMILES S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O2S/c19-11-4-12-21-18(24)23-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 4.40n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50047034
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]thiadiazol-...)
Show SMILES O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O2S/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 8n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121686
PNG
(5-(4,4,4-Trifluoro-butoxy)-indan-1,2,3-trione | CH...)
Show SMILES FC(F)(F)CCCOc1ccc2c(c1)c(=O)c(=O)c2=O
Show InChI InChI=1S/C13H9F3O4/c14-13(15,16)4-1-5-20-7-2-3-8-9(6-7)11(18)12(19)10(8)17/h2-3,6H,1,4-5H2
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n/an/a 9n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50047022
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-thioxo-[1,3,4]thiadiaz...)
Show SMILES S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3OS2/c19-11-4-12-21-18(23)24-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 16n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121687
PNG
(3-[2-(4-Benzyloxy-phenyl)-6-oxo-5,6-dihydro-[1,3,4...)
Show SMILES O=C1CN(CCC#N)N=C(O1)c1ccc(OCc2ccccc2)cc1 |c:8|
Show InChI InChI=1S/C19H17N3O3/c20-11-4-12-22-13-18(23)25-19(21-22)16-7-9-17(10-8-16)24-14-15-5-2-1-3-6-15/h1-3,5-10H,4,12-14H2
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n/an/a 18n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121689
PNG
(3-[2-Acetyl-4-(3-trifluoromethyl-benzyloxy)-phenox...)
Show SMILES COCC(COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)C(=O)OC
Show InChI InChI=1S/C22H23F3O6/c1-14(26)19-10-18(30-11-15-5-4-6-17(9-15)22(23,24)25)7-8-20(19)31-13-16(12-28-2)21(27)29-3/h4-10,16H,11-13H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50031048
PNG
(3-(4-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyri...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H
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n/an/a 90n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19163
PNG
(3-methyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES Cc1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C12H8N2O/c1-7-6-10-11(14-13-7)8-4-2-3-5-9(8)12(10)15/h2-6H,1H3
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n/an/a 130n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured


Bioorg Med Chem Lett 13: 69-73 (2002)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%