BDBM27533 4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one::4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one::4-[[3-(1,4-Diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2Hphthalazin-1-one::4-{[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorophenyl]methyl}-1,2-dihydrophthalazin-1-one::CHEMBL380648::Homopiperazine analogue, 14::KU-0058948

SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1

InChI Key InChIKey=HGEPGGJUGUMFHT-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 27533   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Kudos Pharmaceuticals

LigandPNGBDBM27533(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Affinity DataIC50:  7nMpH: 7.4 T: 2°CAssay Description:A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Kudos Pharmaceuticals

LigandPNGBDBM27533(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Affinity DataIC50:  7nMAssay Description:Inhibitory activity against PARP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Kudos Pharmaceuticals

LigandPNGBDBM27533(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of human PARP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Kudos Pharmaceuticals

LigandPNGBDBM27533(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Affinity DataKd:  19nMAssay Description:Binding affinity to human PARP1 by isothermal titration colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP3 [R100H](Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM27533(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Affinity DataKd:  70nMAssay Description:Binding affinity to human PARP3 PARP domain by isothermal titration colorimetryMore data for this Ligand-Target Pair