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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 = 'BDBM50093335'   
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))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair