BDBM50595780 CHEMBL5194669

SMILES [H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)N1CCNCCS1(=O)=O

InChI Key InChIKey=AYPOFBCPZVCFFN-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50595780   

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

Curated by ChEMBL
LigandPNGBDBM50595780(CHEMBL5194669)
Affinity DataIC50: 22nMAssay Description:Inhibition of human His-Sumo-tagged PAD4 (A2 to P663 residues) expressed in Escherichia coli BL21 (DE3) cells using BAEE as substrate preincubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed