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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50111784'   
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))
BDBM50111784
PNG
(CHEMBL3605369)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C29H36N4O8/c1-32(15-17-7-9-19(10-8-17)18-5-3-2-4-6-18)16-23(41-28-26(37)25(36)22(14-30)40-28)21-13-20(34)27(39-21)33-12-11-24(35)31-29(33)38/h2-12,20-23,25-28,34,36-37H,13-16,30H2,1H3,(H,31,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair