BDBM50204601 CHEMBL3891031

SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1

InChI Key InChIKey=FHRGHWJREIVLTF-OXJNMPFZSA-N

Data  2 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 2 hits for monomerid = 50204601   

TargetProtein-arginine deiminase type-2(Homo sapiens (Human))
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50204601(CHEMBL3891031)
Affinity DataIC50: <7.94E+4nMAssay Description:Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-arginine deiminase type-4(Homo sapiens (Human))
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50204601(CHEMBL3891031)
Affinity DataIC50:  79nMAssay Description:Inhibition of GST-tagged recombinant human PAD4 (1 to 663 residues) expressed in Escherichia coli using N-a-benzoyl-L-arginine ethyl ester as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed