BDBM50640700 CHEMBL5573586

SMILES c1cc(cc(c1)OCC(=O)O)C[N@](Cc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)c3cccnc3

InChI Key InChIKey=BUKOXPGUCJWGKN-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50640700   

TargetCarbonic anhydrase 9(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640700BDBM50640700(CHEMBL5573586)
Affinity DataKi:  4.10nMAssay Description:Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640700BDBM50640700(CHEMBL5573586)
Affinity DataKi:  7.60nMAssay Description:Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCarbonic anhydrase 12(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640700BDBM50640700(CHEMBL5573586)
Affinity DataKi:  8.30nMAssay Description:Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640700BDBM50640700(CHEMBL5573586)
Affinity DataKi:  62nMAssay Description:Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCarbonic anhydrase 4(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640700BDBM50640700(CHEMBL5573586)
Affinity DataKi:  1.75E+3nMAssay Description:Inhibition of human CA4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed