BDBM50276330 CHEMBL454258::trans-4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-(4-(2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzamido)cyclohexanecarboxamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate

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)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O

InChI Key InChIKey=WSULUHFQDVHJDK-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276330   

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

Curated by ChEMBL
LigandPNGBDBM50276330(trans-4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxo...)
Affinity DataKd:  2.54E+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