BDBM50197588 8-{2-[((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-methyl]-thiazol-4-yl}-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione::CHEMBL245559

SMILES OC[C@H]1OC(NCc2nc(cs2)-c2ccc3[nH]c4c5CCCc5c5C(=O)NC(=O)c5c4c3c2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key InChIKey=IVLGPCILSBEGDK-UHFFFAOYSA-N

Data  1 IC50

  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 = 50197588   

TargetPoly [ADP-ribose] polymerase 1(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50197588(8-{2-[((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymet...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human recombinant PARP1 in U251MG cells by CometAssayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2012
Entry Details Article
PubMed