BDBM50276329 4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-(1-(2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzoyl)piperidine-4-carboxamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate::CHEMBL509613

SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CCN(CC1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O

InChI Key InChIKey=JTYGTFJLGGSWQA-UHFFFAOYSA-N

Data  1 Kd

  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 = 50276329   

TargetSHC-transforming protein 1(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50276329(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Affinity DataKd:  1.42E+4nMAssay Description:Binding affinity to Shc Src homology 2 domain by fluorescence anisotropyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed