BDBM50643505 CHEMBL5572070

SMILES COC[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F

InChI Key InChIKey=XEJKFCWHBMFMHK-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50643505   

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50643505(CHEMBL5572070)
Affinity DataIC50: 1.40nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50643505(CHEMBL5572070)
Affinity DataIC50: 2.09E+3nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed