BDBM50401491 CHEMBL2204581

SMILES CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC

InChI Key InChIKey=XKEIDWZKJDOBEL-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50401491   

TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50401491(CHEMBL2204581)
Affinity DataIC50: 25.4nMAssay Description:Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBaculoviral IAP repeat-containing protein 2(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50401491(CHEMBL2204581)
Affinity DataIC50: 5.40nMAssay Description:Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)