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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 = 'BDBM50513743'   
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))		BDBM50513743
PNG
(CHEMBL4438605)
Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50513743
PNG
(CHEMBL4438605)
Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Guizhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorimetric assay

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126625
BindingDB Entry DOI: 10.7270/Q2KD2286
More data for this
Ligand-Target Pair