BDBM13606 (3S)-3-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}-3-acetamidopropanoic acid::CHEMBL175257::Compound I::N-acetyl-Asp-Tyr(SO3H)-Nle-NH2::sulfotyrosyl tripeptide I

SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O

InChI Key InChIKey=VYEUAVNMANWCSE-UHFFFAOYSA-N

Data  3 KI

  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 = 13606   

LigandPNGBDBM13606(CHEMBL175257 | N-acetyl-Asp-Tyr(SO3H)-Nle-NH2 | (3...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM13606(CHEMBL175257 | N-acetyl-Asp-Tyr(SO3H)-Nle-NH2 | (3...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.15kcal/molepH: 7.2 T: 2°CAssay Description:Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2007
Entry Details Article
PubMed
LigandPNGBDBM13606(CHEMBL175257 | N-acetyl-Asp-Tyr(SO3H)-Nle-NH2 | (3...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of rat recombinant PTP1B (1 to 321 residues) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed