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PubMed code 21923198

Compile data set for download or QSAR
Found 6 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))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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Article
PubMed
n/an/a 30.2n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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Article
PubMed
n/an/a 85.2n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355808
PNG
(CHEMBL1911928)
Show SMILES CN(CC#C)[C@H](CF)Cc1ccccc1 |r|
Show InChI InChI=1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1
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antibodypedia
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Article
PubMed
n/an/a 171n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50355808
PNG
(CHEMBL1911928)
Show SMILES CN(CC#C)[C@H](CF)Cc1ccccc1 |r|
Show InChI InChI=1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1
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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355807
PNG
(CHEMBL1911927)
Show SMILES C[C@H]([C@H](F)c1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H16FN/c1-4-10-15(3)11(2)13(14)12-8-6-5-7-9-12/h1,5-9,11,13H,10H2,2-3H3/t11-,13+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355806
PNG
(CHEMBL1911926)
Show SMILES C[C@H](Cc1ccccc1)N(CCF)CC#C |r|
Show InChI InChI=1S/C14H18FN/c1-3-10-16(11-9-15)13(2)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%