BDBM15813 1:1 mixture of diastereomers::2-[(4-{2-[(4-{[(S)-carboxy(cyclohexyl)methyl]carbamoyl}butyl)carbamoyl]-2-acetamidoethyl}-2-ethylphenyl)amidoformic acid]benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 13

SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](C2CCCCC2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key InChIKey=RRGYQZSBDNWDJM-UHFFFAOYSA-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 = 15813   

LigandPNGBDBM15813(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(S)-...)
Affinity DataKi:  250nM ΔG°:  -8.91kcal/molepH: 7.5 T: 2°CAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2007
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM15813(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(S)-...)
Affinity DataKi:  290nMAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2007
Entry Details Article
PubMed