BDBM50661221 CHEMBL6142145

SMILES COc1ccc2c(c1)/C(=C1/S/C(=Nc3ccc(S(N)(=O)=O)cc3)N(C3CC3)C1=O)C(=O)N2

InChI Key InChIKey=ZRGOIIPZDHQRSP-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50661221   

TargetCarbonic anhydrase 12(Human)
University of Cagliari

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661221BDBM50661221(CHEMBL6142145)
Affinity DataKi:  94nMAssay Description:Inhibition of recombinant human Carbonic anhydrase XII catalytic domain assessed as inhibition constant incubated for 15 mins by stopped-flow CO2 hyd...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
University of Cagliari

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661221BDBM50661221(CHEMBL6142145)
Affinity DataKi:  530nMAssay Description:Inhibition of recombinant human Carbonic anhydrase II catalytic domain assessed as inhibition constant incubated for 15 mins by stopped-flow CO2 hydr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCarbonic anhydrase 9(Human)
University of Cagliari

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661221BDBM50661221(CHEMBL6142145)
Affinity DataKi:  3.36E+3nMAssay Description:Inhibition of recombinant human Carbonic anhydrase IX catalytic domain assessed as inhibition constant incubated for 15 mins by stopped-flow CO2 hydr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
University of Cagliari

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661221BDBM50661221(CHEMBL6142145)
Affinity DataKi:  5.12E+3nMAssay Description:Inhibition of recombinant human Carbonic anhydrase I catalytic domain assessed as inhibition constant incubated for 15 mins by stopped-flow CO2 hydra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed