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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50018671'   
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


(Rattus norvegicus (rat))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate preincubated for 240 mins


Eur J Med Chem 80: 543-61 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.078
BindingDB Entry DOI: 10.7270/Q2BK1DWK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate preincubated for 60 mins


Eur J Med Chem 80: 543-61 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.078
BindingDB Entry DOI: 10.7270/Q2BK1DWK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate preincubated for 30 mins


Eur J Med Chem 80: 543-61 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.078
BindingDB Entry DOI: 10.7270/Q2BK1DWK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...


Eur J Med Chem 80: 543-61 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.078
BindingDB Entry DOI: 10.7270/Q2BK1DWK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.18E+4n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...


Eur J Med Chem 121: 864-879 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.001
BindingDB Entry DOI: 10.7270/Q2B27X8T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50018671
PNG
(CHEMBL3291019)
Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.17E+4n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate


Eur J Med Chem 80: 543-61 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.078
BindingDB Entry DOI: 10.7270/Q2BK1DWK
More data for this
Ligand-Target Pair