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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 = 'BDBM50532725'   
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))
BDBM50532725
PNG
(CHEMBL4439320)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(F)cc4)C3)ccc12
Show InChI InChI=1S/C24H26FNO3.ClH/c1-16-17(2)24(27)29-23-12-21(9-10-22(16)23)28-15-19-4-3-11-26(14-19)13-18-5-7-20(25)8-6-18;/h5-10,12,19H,3-4,11,13-15H2,1-2H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
BindingDB Entry DOI: 10.7270/Q25142Q8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532725
PNG
(CHEMBL4439320)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(F)cc4)C3)ccc12
Show InChI InChI=1S/C24H26FNO3.ClH/c1-16-17(2)24(27)29-23-12-21(9-10-22(16)23)28-15-19-4-3-11-26(14-19)13-18-5-7-20(25)8-6-18;/h5-10,12,19H,3-4,11,13-15H2,1-2H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
BindingDB Entry DOI: 10.7270/Q25142Q8
More data for this
Ligand-Target Pair