BDBM13465 (2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-2-acetamido-3-phenylpropanamide::CHEMBL382311::IZD 8::Isothiazolidinone (IZD) deriv. 6::Saturated (S)-IZD

SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O

InChI Key InChIKey=UILYPHAKDBTKQV-UFYCRDLUSA-N

Data  1 KI  7 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 8 hits for monomerid = 13465   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataKi:  180nMAssay Description:Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assayMore data for this Ligand-Target Pair
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  190nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  190nMAssay Description:Inhibitory concentration against protein-tyrosine phosphatase 1B by PNPP enzyme assayMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  1.80E+5nMAssay Description:Inhibition of Homo sapiens (human) PTP1B expressed in Escherichia coli using PNPP as substrateMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  135nMAssay Description:Inhibitory concentration against T cell protein tyrosine phosphataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  240nMAssay Description:Inhibition of PTP1B by pNPP assayMore data for this Ligand-Target Pair
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50:  190nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM13465((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory concentration against protein-tyrosine phosphataseMore data for this Ligand-Target Pair