BDBM13609 2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3-phenylpropanamido]-2-(pentylcarbamoyl)ethyl]phenoxy}propanedioic acid::Compound IV::sulfotyrosyl tripeptide analog 4

SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O

InChI Key InChIKey=BPBUFYVHTSCTMP-GOTSBHOMSA-N

Data  2 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 2 hits for monomerid = 13609   

LigandPNGBDBM13609(2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of PTP1B (unknown origin) assessed as inhibition constant using pNPP as substrateMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Rattus norvegicus (rat))
Pharmacia

LigandPNGBDBM13609(2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...)
Affinity DataKi:  1.20E+3nM ΔG°:  -7.99kcal/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 DepthDetails ArticlePubMed