BDBM50581621 CHEMBL5087104

SMILES C[C@@H]1[C@H](N)CCCN1C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc2ccsc2cc1C(=O)NC3C

InChI Key InChIKey=XXWKQQADEORQKB-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50581621   

TargetProtein-arginine deiminase type-4(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50581621(CHEMBL5087104)
Affinity DataIC50: 5nMAssay Description:Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed