BDBM50658435 CHEMBL6159519

SMILES CCc1cc2ncc(CN3CC=C(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O

InChI Key InChIKey=FPYXIGIJSIVTLH-UHFFFAOYSA-N

Data  5 IC50  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 7 hits for monomerid = 50658435   

TargetPoly [ADP-ribose] polymerase 1(Human)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of PARP1 (unknown origin) preincubated with compound for 10 mins followed by DNA and NAD+ addition and measured after 60 mins by chemilumi...More 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of PARP1 in PARP2 knockout human A549 cells preincubated with compound for 1 hr followed by H2O2 addition and measured after 5 mins by sel...More 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataEC50:  0.900nMAssay Description:Binding affinity to PARP1 (unknown origin) assessed as DNA trapping activity incubated for 1 hr by Envision 2105 plate reader analysisMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataIC50: 4.10nMAssay Description:Inhibition of PARP1 in wild type human A549 cells preincubated with compound for 1 hr followed by H2O2 addition and measured after 5 mins by PARylati...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataIC50: 122nMAssay Description:Inhibition of PARP2 (unknown origin) preincubated with compound for 10 mins followed by DNA and NAD+ addition and measured after 60 mins by chemilumi...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataEC50:  4.33E+3nMAssay Description:Binding affinity to PARP2 (unknown origin) assessed as DNA trapping activity incubated for 1 hr by Envision 2105 plate reader analysisMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658435BDBM50658435(CHEMBL6159519)
Affinity DataIC50: 5.19E+3nMAssay Description:Inhibition of PARP2 in PARP1 knockout human A549 cells preincubated with compound for 1 hr followed by H2O2 addition and measured after 5 mins by sel...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed