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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50491957'   
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))
BDBM50491957
PNG
(CHEMBL2391742)
Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.460n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Morrison equation analysis


Bioorg Med Chem Lett 23: 1269-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.003
BindingDB Entry DOI: 10.7270/Q2HQ42TM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50491957
PNG
(CHEMBL2391742)
Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Cheng and Prusoff equation analysis


Bioorg Med Chem Lett 23: 1269-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.003
BindingDB Entry DOI: 10.7270/Q2HQ42TM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50491957
PNG
(CHEMBL2391742)
Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 1269-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.003
BindingDB Entry DOI: 10.7270/Q2HQ42TM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50491957
PNG
(CHEMBL2391742)
Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant monoamine oxidase-B assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophot...


Bioorg Med Chem Lett 23: 1269-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.003
BindingDB Entry DOI: 10.7270/Q2HQ42TM
More data for this
Ligand-Target Pair