BDBM50068775 2H-Isoquinolin-1-one::CHEMBL339695::isoquinolin-1(2H)-one

SMILES O=c1[nH]ccc2ccccc12

InChI Key InChIKey=VDBNYAPERZTOOF-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  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 5 hits for monomerid = 50068775   

TargetPoly [ADP-ribose] polymerase 1(Mouse)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50068775(isoquinolin-1(2H)-one | 2H-Isoquinolin-1-one | CHE...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50068775(isoquinolin-1(2H)-one | 2H-Isoquinolin-1-one | CHE...)
Affinity DataIC50: 7.00E+3nMAssay Description:The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibitionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeregrin(Human)
University of Z£Rich

Curated by ChEMBL
LigandPNGBDBM50068775(isoquinolin-1(2H)-one | 2H-Isoquinolin-1-one | CHE...)
Affinity DataKd: >2.00E+5nMAssay Description:Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50068775(isoquinolin-1(2H)-one | 2H-Isoquinolin-1-one | CHE...)
Affinity DataIC50: 9nMAssay Description:Inhibition of PARP1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCoagulation factor VII/Tissue factor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50068775(isoquinolin-1(2H)-one | 2H-Isoquinolin-1-one | CHE...)
Affinity DataKi:  1.90E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed