BDBM50450897 CHEMBL4202689

SMILES COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12

InChI Key InChIKey=KFIKEYZGNDJFAU-UHFFFAOYSA-N

Data  2 EC50

  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 2 hits for monomerid = 50450897   

TargetProtein-arginine deiminase type-2(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50450897(CHEMBL4202689)
Affinity DataEC50:  5.90E+3nMAssay Description:Binding affinity to human PAD2 expressed in HEK293T cells assessed as protein occupancy preincubated for 15 mins followed by ionomycin addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-2(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50450897(CHEMBL4202689)
Affinity DataEC50:  2.10E+3nMAssay Description:Binding affinity to human PAD2 expressed in HEK293T cells assessed as decrease in histone H3 citrulination incubated for 3 hrs in presence of ionomyc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed