BDBM50658646 CHEMBL6166074

SMILES O=C(Cc1nnn[nH]1)NCCc1ccccc1

InChI Key InChIKey=IGPVTXOEQKVWEI-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50658646   

TargetCarbonic anhydrase 12(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658646BDBM50658646(CHEMBL6166074)
Affinity DataKi:  2.29E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins by stopped-flow techniqueMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658646BDBM50658646(CHEMBL6166074)
Affinity DataKi:  3.06E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins by stopped-flow techniqueMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658646BDBM50658646(CHEMBL6166074)
Affinity DataKi:  5.37E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins by stopped-flow techniqueMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658646BDBM50658646(CHEMBL6166074)
Affinity DataKi:  7.69E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase I assessed as inhibition constant incubated for 15 mins by stopped-flow techniqueMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed