BDBM13614 2-(carboxymethoxy)-5-[(2S)-2-(pentylcarbamoyl)-2-[(2S)-3-phenyl-2-[1-(5-sulfanyl-1H-1,2,3-triazol-1-yl)acetamido]propanamido]ethyl]benzoic acid::Compound IX::sulfotyrosyl tripeptide analog 9

SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1[nH]ncc1=S

InChI Key InChIKey=RLCZXIOSOGAOMZ-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 = 13614   

LigandPNGBDBM13614(2-(carboxymethoxy)-5-[(2S)-2-(pentylcarbamoyl)-2-[...)
Affinity DataKi:  120nM ΔG°:  -9.34kcal/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