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PubMed code 1548678

Compile data set for download or QSAR
Found 5 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


(Bos taurus)
BDBM50005359
PNG
(5-Oxo-4-phenyl-tetrahydro-furan-2-ylmethyl-ammoniu...)
Show SMILES [NH3+]C[C@@H]1C[C@@H](C(=O)O1)c1ccccc1
Show InChI InChI=1S/C11H13NO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2/p+1/t9-,10+/m0/s1
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PubMed
4.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50005362
PNG
(5-Oxo-4-phenyl-tetrahydro-furan-2-ylmethyl-ammoniu...)
Show SMILES [NH3+]C[C@@H]1C[C@H](C(=O)O1)c1ccccc1
Show InChI InChI=1S/C11H13NO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2/p+1/t9-,10-/m0/s1
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PubMed
5.10E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50005360
PNG
(4-(4-Methoxy-phenyl)-5-oxo-tetrahydro-furan-2-ylme...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H](C[NH3+])OC1=O
Show InChI InChI=1S/C12H15NO3/c1-15-9-4-2-8(3-5-9)11-6-10(7-13)16-12(11)14/h2-5,10-11H,6-7,13H2,1H3/p+1/t10-,11+/m0/s1
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PubMed
6.67E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368566
PNG
(CHEMBL1203213)
Show SMILES COc1ccc(cc1)N1CC(CN)OC1=O
Show InChI InChI=1S/C11H14N2O3/c1-15-9-4-2-8(3-5-9)13-7-10(6-12)16-11(13)14/h2-5,10H,6-7,12H2,1H3
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PubMed
1.25E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50005361
PNG
(4-(4-Methoxy-phenyl)-5-oxo-tetrahydro-furan-2-ylme...)
Show SMILES COc1ccc(cc1)[C@@H]1C[C@@H](C[NH3+])OC1=O
Show InChI InChI=1S/C12H15NO3/c1-15-9-4-2-8(3-5-9)11-6-10(7-13)16-12(11)14/h2-5,10-11H,6-7,13H2,1H3/p+1/t10-,11-/m0/s1
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PubMed
1.82E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%