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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50168982'   
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


(Rattus norvegicus (rat))
BDBM50168982
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A


J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50168982
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair