BDBM50658629 CHEMBL6147618

SMILES O=[N+]([O-])c1cnc(N(Cc2coc3ccccc23)C2CCS(=O)(=O)C2)nc1Cl

InChI Key InChIKey=ZBTJHWDVBHKZNJ-UHFFFAOYSA-N

Data  2 IC50

  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 = 50658629   

TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658629BDBM50658629(CHEMBL6147618)
Affinity DataIC50: 460nMAssay Description:Inhibition of human Pin1 using Suc-Ala-Glu-Pro-Phe04-nitroanilide as peptide substrate preincubated for 14 hrs followed by substrate addition and mea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658629BDBM50658629(CHEMBL6147618)
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of human Pin1 extracted from Escherichia coli BL21 (DE3) cells using TAMRA labelled Bth-(D-Thr(PO3H2))-Pip-Nal-NH2 peptide probe as substr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed