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PubMed code 16884303

Compile data set for download or QSAR
Found 27 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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422881
PNG
(CHEMBL213955)
Show SMILES Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C17H13ClO3/c1-11-7-13-5-6-15(9-16(13)21-17(11)19)20-10-12-3-2-4-14(18)8-12/h2-9H,10H2,1H3
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n/an/a 5.10n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422876
PNG
(CHEMBL212661)
Show SMILES Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422877
PNG
(CHEMBL213286)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422878
PNG
(CHEMBL211425)
Show SMILES Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O2S/c1-12-13(2)18(19)20-17-10-15(8-9-16(12)17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422884
PNG
(CHEMBL377318)
Show SMILES Cc1c(C)c(=O)oc2cc(OC\C=C\c3ccccc3)ccc12
Show InChI InChI=1S/C20H18O3/c1-14-15(2)20(21)23-19-13-17(10-11-18(14)19)22-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3/b9-6+
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n/an/a 112n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422874
PNG
(CHEMBL380375)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m0/s1
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n/an/a 302n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
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n/an/a 447n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422883
PNG
(CHEMBL213724)
Show SMILES Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O2/c1-13-14(2)19(20)21-18-12-16(10-11-17(13)18)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
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n/an/a 457n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422882
PNG
(CHEMBL211476)
Show SMILES Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C18H16O5S/c1-12-13(2)18(19)23-17-10-14(8-9-16(12)17)22-11-24(20,21)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
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n/an/a 871n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422873
PNG
(CHEMBL213511)
Show SMILES O=C(OCc1ccc2ccc(=O)oc2c1)c1ccccc1
Show InChI InChI=1S/C17H12O4/c18-16-9-8-13-7-6-12(10-15(13)21-16)11-20-17(19)14-4-2-1-3-5-14/h1-10H,11H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422880
PNG
(CHEMBL211248)
Show SMILES Cc1c(C)c(=O)oc2cc(ccc12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C18H16O4S/c1-12-13(2)18(19)22-17-10-15(8-9-16(12)17)23(20,21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422882
PNG
(CHEMBL211476)
Show SMILES Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C18H16O5S/c1-12-13(2)18(19)23-17-10-14(8-9-16(12)17)22-11-24(20,21)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
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n/an/a 2.82E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422874
PNG
(CHEMBL380375)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m0/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50422879
PNG
(CHEMBL209811)
Show SMILES Cc1c(C)c(=O)oc2cc(Oc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-11-12(2)17(18)20-16-10-14(8-9-15(11)16)19-13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422875
PNG
(CHEMBL213684)
Show SMILES CN(c1ccc2c(C)c(C)c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO4S/c1-12-5-8-16(9-6-12)25(22,23)20(4)15-7-10-17-13(2)14(3)19(21)24-18(17)11-15/h5-11H,1-4H3
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n/an/a 4.57E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422876
PNG
(CHEMBL212661)
Show SMILES Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422883
PNG
(CHEMBL213724)
Show SMILES Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O2/c1-13-14(2)19(20)21-18-12-16(10-11-17(13)18)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
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n/an/a 7.08E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422873
PNG
(CHEMBL213511)
Show SMILES O=C(OCc1ccc2ccc(=O)oc2c1)c1ccccc1
Show InChI InChI=1S/C17H12O4/c18-16-9-8-13-7-6-12(10-15(13)21-16)11-20-17(19)14-4-2-1-3-5-14/h1-10H,11H2
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n/an/a 9.55E+3n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422878
PNG
(CHEMBL211425)
Show SMILES Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O2S/c1-12-13(2)18(19)20-17-10-15(8-9-16(12)17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422877
PNG
(CHEMBL213286)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
PDB
MMDB

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UniChem

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Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422881
PNG
(CHEMBL213955)
Show SMILES Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C17H13ClO3/c1-11-7-13-5-6-15(9-16(13)21-17(11)19)20-10-12-3-2-4-14(18)8-12/h2-9H,10H2,1H3
PDB
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PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50422880
PNG
(CHEMBL211248)
Show SMILES Cc1c(C)c(=O)oc2cc(ccc12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C18H16O4S/c1-12-13(2)18(19)22-17-10-15(8-9-16(12)17)23(20,21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.86E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%