BDBM50345642 (2S,5S,8S,11S,14S)-2-((S)-2-((2S,3R)-1-((S)-1-((S)-4-amino-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1,4-dioxobutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-hydroxy-1-oxobutan-2-ylcarbamoyl)pyrrolidine-1-carbonyl)-11-(3-guanidinopropyl)-5-((R)-1-hydroxyethyl)-8,14-bis(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaheptadecyl dihydrogen phosphate::CHEMBL1784786

SMILES CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)O

InChI Key InChIKey=JATSOIBVBDXUBA-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345642   

TargetBreast cancer type 1 susceptibility protein(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50345642BDBM50345642((2S,5S,8S,11S,14S)-2-((S)-2-((2S,3R)-1-((S)-1-((S)...)
Affinity DataKd:  440nMAssay Description:Binding affinity to BRCA1 by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed