BDBM50664592 CHEMBL6169941

SMILES O=C(c1cnc(N2CC[C@H](CO)C2)s1)N1CCC2(CCOCC2)C1

InChI Key InChIKey=SAMQRKHSLVWUCK-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50664592   

TargetPantetheinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50664592BDBM50664592(CHEMBL6169941)
Affinity DataIC50: 7.30nMAssay 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 InfoPC cidPC sid
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 50664592BDBM50664592(CHEMBL6169941)
Affinity DataIC50: 15nMAssay 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 InfoPC cidPC sid
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 50664592BDBM50664592(CHEMBL6169941)
Affinity DataKd:  48nMAssay Description:Binding affinity to human vanin-1 by surface plasmon resonance methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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 50664592BDBM50664592(CHEMBL6169941)
Affinity DataIC50: 112nMAssay 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 InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed