BDBM50648163 CHEMBL5597013

SMILES CCc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)NC)CC1

InChI Key

  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 2 hits for monomerid = 50648163   

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

Curated by ChEMBL
LigandPNGBDBM50648163(CHEMBL5597013)
Affinity DataIC50: 1.67E+3nMAssay Description:Inhibition of His-tagged PIN1 (unknown origin) TAMRA labelled Bth-D-pThr-Pip-L-2Nal as substrate incubated for 30 mins by fluorescence polarization a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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
LigandPNGBDBM50648163(CHEMBL5597013)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to GST-tagged PIN1 (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed