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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50402326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402326
PNG
(CHEMBL2206097)
Show SMILES COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-9-8-11-6-5-7-12(10-11)24-4/h5-7,10H,8-9H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50402326
PNG
(CHEMBL2206097)
Show SMILES COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-9-8-11-6-5-7-12(10-11)24-4/h5-7,10H,8-9H2,1-4H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.81E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair