BDBM13469 ({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(phosphono)methyl]phenyl}acetamido)-3-phenylpropanamido]ethyl]phenyl}difluoromethyl)phosphonic acid::Difluoromethylphosphonic acid (DFMP) deriv. 1::[[4-[[(1S)-1-[[(1S)-1-aminocarbonyl-2-[4-(difluoro-phosphono-methyl)phenyl]ethyl]carbamoyl]-2-phenyl-ethyl]carbamoylmethyl]phenyl]-difluoro-methyl]phosphonic acid

SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O

InChI Key InChIKey=LGZYIQKUXWAUAL-GOTSBHOMSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13469   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Qilu University Of Technology

Curated by ChEMBL
LigandPNGBDBM13469(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human PTP1B catalytic domain expressed in Escherichia coli assessed as pNPP hydrolysis measured every 30 secs for 15 minsMore data for this Ligand-Target Pair
LigandPNGBDBM13469(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Affinity DataIC50:  1.70nMpH: 7.0 T: 2°CAssay Description:The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...More data for this Ligand-Target Pair