BDBM50616977 CHEMBL5404938

SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=OSBWEQAOENBUAC-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  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 = 50616977   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Qingdao University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50616977BDBM50616977(CHEMBL5404938)
Affinity DataIC50: 960nMAssay Description:Inhibition of N-terminal His tagged recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate assessed as substrate hydrolysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Qingdao University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50616977BDBM50616977(CHEMBL5404938)
Affinity DataIC50: 961nMAssay Description:Inhibition of recombinant human PTPN1 using p-nitrophenyl phosphate as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Qingdao University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50616977BDBM50616977(CHEMBL5404938)
Affinity DataKd:  2.82E+3nMAssay Description:Binding affinity to PTPN1 (unknown origin) assessed as equilibrium dissociation constant (Kd) by Bio-Layer Interferometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed