BDBM50458226 CHEMBL4217355

SMILES Brc1ccc(COc2ccc3C\C(=C/c4ccc(OCCCN5CCCCC5)cc4)C(=O)c3c2)cc1

InChI Key InChIKey=LZUBTFVEEDSMJZ-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50458226   

TargetAmine oxidase [flavin-containing] B(Human)
Heinrich Heine University Duesseldorf

Curated by ChEMBL
LigandPNGBDBM50458226(CHEMBL4217355)
Affinity DataIC50: 232nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Heinrich Heine University Duesseldorf

Curated by ChEMBL
LigandPNGBDBM50458226(CHEMBL4217355)
Affinity DataIC50: 1.46E+3nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Heinrich Heine University Duesseldorf

Curated by ChEMBL
LigandPNGBDBM50458226(CHEMBL4217355)
Affinity DataIC50: 5.51E+3nMAssay Description:Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Heinrich Heine University Duesseldorf

Curated by ChEMBL
LigandPNGBDBM50458226(CHEMBL4217355)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed