BDBM595758 US11591331, Example 88

SMILES CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5COC5)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O

InChI Key InChIKey=QXCNULHECCXKJL-UHFFFAOYSA-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 = 595758   

TargetPoly [ADP-ribose] polymerase 1(Human)
Xinthera

US Patent
LigandChemical structure of BindingDB Monomer ID 595758BDBM595758(US11591331, Example 88)
Affinity DataIC50: 8.90nMAssay Description:Assays based on fluorescent polarization (FP) have been widely utilized in drug discovery due to the homogenous format, robust performance and lack o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2023
Entry Details
US Patent

TargetPoly [ADP-ribose] polymerase 2(Human)
Xinthera

US Patent
LigandChemical structure of BindingDB Monomer ID 595758BDBM595758(US11591331, Example 88)
Affinity DataIC50: 4.70E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2023
Entry Details
US Patent