BDBM124951 US8765972, 4

SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O

InChI Key InChIKey=OYGLTKXMFGWXJT-AWEZNQCLSA-N

Data  3 IC50  6 Kd

PDB links: 1 PDB ID matches 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 9 hits for monomerid = 124951   

TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

US Patent
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd:  10nMAssay Description:Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd: >1.00E+4nMAssay Description:Displacement of fluorescent probe from human recombinant His-tagged TNKS1 catalytic domain (1091-1325 residues) by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProtein mono-ADP-ribosyltransferase PARP3(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd: >1.00E+4nMAssay Description:Displacement of fluorescent probe from human recombinant His/GST-tagged PARP3 by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

US Patent
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd: <30nMAssay Description:Displacement of fluorescent probe from human recombinant full length His-tagged PARP1 by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 2B6(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM124951(US8765972, 4)
Affinity DataIC50: >3.10E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

US Patent
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd:  16nMAssay Description:Binding affinity to human recombinant His/GST-tagged PARP1 catalytic domain (655-end residues) by surface plasma resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPoly [ADP-ribose] polymerase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM124951(US8765972, 4)
Affinity DataKd: >1.00E+4nMAssay Description:Displacement of fluorescent probe from human recombinant full length His-tagged PARP2 by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

US Patent
LigandPNGBDBM124951(US8765972, 4)
Affinity DataIC50:  27nMAssay Description:Inhibition of PARP1 in human HeLa cells assessed as reduction in H2O2-induced PAR formation incubated for 30 mins followed by H2O2 addition for 15 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 2D6(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM124951(US8765972, 4)
Affinity DataIC50: >3.10E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed