BDBM50450053 CHEMBL4175992

SMILES C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C

InChI Key InChIKey=XYDGOXJJDFKAAT-UHFFFAOYSA-N

Data  2 IC50

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 1 hit for monomerid = 50450053   

TargetE3 ubiquitin-protein ligase XIAP(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50450053(CHEMBL4175992)
Affinity DataIC50: 30nMAssay Description:Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)