BDBM50101078 (S)-4-{2-Acetylamino-3-[4-(2-methoxycarbonyl-2-oxo-acetyl)-phenyl]-propionylamino}-4-[(1S,2R)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-propylcarbamoyl]-butyric acid::CHEMBL295902

SMILES COC(=O)C(=O)C(=O)c1ccc(CC(NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1

InChI Key InChIKey=WFEWTBGBFAWONP-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50101078   

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101078((S)-4-{2-Acetylamino-3-[4-(2-methoxycarbonyl-2-oxo...)
Affinity DataIC50: 1.00E+6nMAssay Description:Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101078((S)-4-{2-Acetylamino-3-[4-(2-methoxycarbonyl-2-oxo...)
Affinity DataIC50: 8.60E+3nMAssay Description:Binding affinity for wild type Src SH2 domain using BIAcore binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed