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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 = 'BDBM50273659'   
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)
BDBM50273659
PNG
((S)-N-(a-Cyclohexylethyl)-N-methyl-1-methyl-1Hindo...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
Show InChI InChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
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Similars

Article
PubMed
54n/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))
BDBM50273659
PNG
((S)-N-(a-Cyclohexylethyl)-N-methyl-1-methyl-1Hindo...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
Show InChI InChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
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Article
PubMed
5.40E+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