BDBM50572883 CHEMBL4865301

SMILES c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F

InChI Key InChIKey=PBGSCTPDAVCTBJ-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50572883   

TargetAmine oxidase [flavin-containing] B(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50572883(CHEMBL4865301)
Affinity DataKi:  5nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50572883(CHEMBL4865301)
Affinity DataKi:  4.60E+3nMAssay Description:Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed