BDBM50618868 CHEMBL5397880

SMILES CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl

InChI Key InChIKey=NMHVAHHYKGXBMY-UHFFFAOYSA-N

Data  3 KI  2 IC50

  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 5 hits for monomerid = 50618868   

TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618868BDBM50618868(CHEMBL5397880)
Affinity DataKi:  17nMAssay Description:Binding affinity to GST-tagged PIN1 (unknown origin) using N-terminal fluorescein-labeled Bth-D-pThr-Pip-Nal as substrate assessed as inhibition cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618868BDBM50618868(CHEMBL5397880)
Affinity DataKi:  17nMAssay Description:Binding affinity to human Pin1 assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618868BDBM50618868(CHEMBL5397880)
Affinity DataIC50: 120nMAssay 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
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618868BDBM50618868(CHEMBL5397880)
Affinity DataIC50: 120nMAssay 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
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618868BDBM50618868(CHEMBL5397880)
Affinity DataKi:  700nMAssay Description:Inhibition of Gst-tagged human Pin1 assessed as inhibition constant measured after 14 hrs by FP binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed