BDBM50573828 CHEMBL4859540::US12595236, Compound 68

SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3ccc(cn3)-c3ccsc3)n2)c1

InChI Key InChIKey=PKDJMOPRADKMKS-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50573828   

TargetDipeptidyl peptidase 1(Human)
Anhui Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573828BDBM50573828(CHEMBL4859540 | US12595236, Compound 68)
Affinity DataIC50: 53nMAssay Description:Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetDipeptidyl peptidase 1(Human)
Anhui Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573828BDBM50573828(CHEMBL4859540 | US12595236, Compound 68)
Affinity DataIC50: 53.1nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetDipeptidyl peptidase 1(Human)
Anhui Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573828BDBM50573828(CHEMBL4859540 | US12595236, Compound 68)
Affinity DataIC50: 62nMAssay Description:Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetDipeptidyl peptidase 1(Human)
Anhui Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573828BDBM50573828(CHEMBL4859540 | US12595236, Compound 68)
Affinity DataIC50: 92nMAssay Description:Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed