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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50532738'   
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] B


(Homo sapiens (Human))
BDBM50532738
PNG
(CHEMBL4451548)
Show SMILES Cl.CN1CCC(COc2ccc3c(C)c(C)c(=O)oc3c2)CC1
Show InChI InChI=1S/C18H23NO3/c1-12-13(2)18(20)22-17-10-15(4-5-16(12)17)21-11-14-6-8-19(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 297n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB 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] B


(Homo sapiens (Human))
BDBM50532738
PNG
(CHEMBL4451548)
Show SMILES Cl.CN1CCC(COc2ccc3c(C)c(C)c(=O)oc3c2)CC1
Show InChI InChI=1S/C18H23NO3/c1-12-13(2)18(20)22-17-10-15(4-5-16(12)17)21-11-14-6-8-19(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 297n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB 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