BDBM50050961 2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-propionylamino]-3-carboxy-propionylamino}-4-carboxy-butyrylamino)-2-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethyl]-phenoxy}-malonic acid::Ac-Asp-Ala-Asp-Glu-OMT-Leu-NH2::CHEMBL8284

SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O

InChI Key InChIKey=SLHOPCQRHOGDFP-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50050961   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50050961(2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against Protein-tyrosine phosphatase 1B-mediated dephosphorylation of phosphorylated insulin receptor using (CHO) cell line trans...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50050961(2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Tested for binding affinity towards Protein-tyrosine Phosphatase 1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50050961(2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...)
Affinity DataKi:  1.30E+4nMAssay Description:Compound was evaluated for the binding affinity against protein-tyrosine phosphatase 1B (PTP1B)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed