BDBM50450900 CHEMBL4217485

SMILES CCn1c(nc2c(OC)cccc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12

InChI Key InChIKey=DTZWXEWKAKLMMK-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 = 50450900   

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

Curated by ChEMBL
LigandPNGBDBM50450900(CHEMBL4217485)
Affinity DataEC50:  2.40E+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
TargetProtein-arginine deiminase type-2(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50450900(CHEMBL4217485)
Affinity DataEC50:  7.60E+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