BDBM13608 2-{4-[(2S)-2-(3-formamidopropanoic acid)-2-(pentylcarbamoyl)ethyl]phenoxy}propanedioic acid::Compound III::sulfotyrosyl tripeptide analog 3

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

InChI Key InChIKey=IWXAYPKTQAACDV-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 13608   

LigandPNGBDBM13608(2-{4-[(2S)-2-(3-formamidopropanoic acid)-2-(pentyl...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.64kcal/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