BDBM50661616 CHEMBL6150331

SMILES COc1cc(F)ccc1-c1cc(Nc2cc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)ncn2)ncc1F

InChI Key InChIKey=NEWNFJJXVSTQGG-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 = 50661616   

TargetCyclin-dependent kinase 9(Human)
South China University of Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661616BDBM50661616(CHEMBL6150331)
Affinity DataIC50: 309nMAssay Description:Inhibition of CDK9 (unknown origin) using lipid substrate incubated for 40 mins in presence of ATP by kinase-Glo plus luminescence assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
South China University of Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661616BDBM50661616(CHEMBL6150331)
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of PARP1 (unknown origin) incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed