BDBM50664588 CHEMBL6161266

SMILES O=C(c1cnc(N2CCC(F)(F)C2)s1)N1CCC2(CCOCC2)C1

InChI Key InChIKey=QHNFPMPDISELCV-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  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 = 50664588   

TargetPantetheinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664588BDBM50664588(CHEMBL6161266)
Affinity DataIC50: 9.40nMAssay Description:Inhibition of vanin-1 in human HT-29 cells preincubated for 30 mins followed by chemiluminescent probe addition and measured after 5 mins by chemilum...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPantetheinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664588BDBM50664588(CHEMBL6161266)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human vanin-1 using pantetheine-7-amino-4-trifluoromethylcoumarin as substrate preincubated for 30 mins followed by substra...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPantetheinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664588BDBM50664588(CHEMBL6161266)
Affinity DataKd:  19nMAssay Description:Binding affinity to human vanin-1 by surface plasmon resonance methodMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetBiotinidase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664588BDBM50664588(CHEMBL6161266)
Affinity DataIC50: 2.36E+3nMAssay Description:Inhibition of recombinant human biotinidase using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substr...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed