BDBM50322362 2-(4-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carbonyl)piperazin-1-yl)-N-(1-oxoisoindolin-4-yl)acetamide::CHEMBL1173120

SMILES c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O

InChI Key InChIKey=DDFLFKTXUWPNMV-UHFFFAOYSA-N

Data  1 IC50

PDB links: 10 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 1 hit for monomerid = 50322362   

TargetPoly [ADP-ribose] polymerase 1(Mouse)
Inotek Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50322362(2-(4-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataIC50: 45nMAssay Description:Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)