BDBM50642227 CHEMBL5565535

SMILES Cc1ccc(C(C)C)c(OCc2cn(CCCCOc3ccc4ccc(=O)oc4c3)nn2)c1

InChI Key InChIKey=QZISTFIOPIRGSR-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50642227   

TargetCarbonic anhydrase 9(Human)
Central University of Punjab

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642227BDBM50642227(CHEMBL5565535)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to human CA IX assessed as inhibition constant by stopped-flow instrument based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAlpha-glucosidase(Baker's yeast)
Guru Nanak Dev University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642227BDBM50642227(CHEMBL5565535)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate preincubated with compound for 20 mins followed by substrate additio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAlpha-amylase(Sus scrofa domesticus)
Guru Nanak Dev University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642227BDBM50642227(CHEMBL5565535)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of porcine pancreatic alpha-amylase using pNPG as substrate preincubated with compound for 20 mins followed by substrate addition measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed