BDBM50246881 CHEMBL4076292

SMILES c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl

InChI Key InChIKey=DJDKMQCYTRHYFU-UHFFFAOYSA-N

Data  2 IC50

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 = 50246881   

TargetPlatelet-activating factor acetylhydrolase(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50246881(CHEMBL4076292)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-activating factor acetylhydrolase(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50246881(CHEMBL4076292)
Affinity DataIC50: 5nMAssay Description:Inhibition of Lp-PLA2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)