BDBM15818 1:1 mixture of diastereomers::2-[(4-{2-[(4-{[(1S)-1-carboxy-3-(ethylsulfanyl)propyl]carbamoyl}butyl)carbamoyl]-2-acetamidoethyl}-2-ethylphenyl)amidoformic acid]benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 18

SMILES CCSCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O

InChI Key InChIKey=FHVZPHJYSOAMGV-SKCDSABHSA-N

Data  3 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 3 hits for monomerid = 15818   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM15818(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)
Affinity DataKi:  126nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM15818(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)
Affinity DataKi:  130nM ΔG°:  -9.29kcal/molepH: 7.5 T: 22°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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM15818(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)
Affinity DataKi:  510nMAssay 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 DepthDetails ArticlePubMed