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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 = 'BDBM50273622'   
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


(Bos taurus)
BDBM50273622
PNG
(CHEMBL460829 | N-(1-Methyl-1H-indol-2-ylmethyl)-N-...)
Show SMILES CN(CCCc1ccccc1)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C20H24N2/c1-21(14-8-11-17-9-4-3-5-10-17)16-19-15-18-12-6-7-13-20(18)22(19)2/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3
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PC sid
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Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273622
PNG
(CHEMBL460829 | N-(1-Methyl-1H-indol-2-ylmethyl)-N-...)
Show SMILES CN(CCCc1ccccc1)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C20H24N2/c1-21(14-8-11-17-9-4-3-5-10-17)16-19-15-18-12-6-7-13-20(18)22(19)2/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3
PDB

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antibodypedia
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PC cid
PC sid
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Article
PubMed
8.89E+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