BDBM50640719 CHEMBL5593042

SMILES c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)NCC(=O)O

InChI Key InChIKey=BFBINAWAQBYZMQ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50640719   

TargetCarbonic anhydrase 9(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640719BDBM50640719(CHEMBL5593042)
Affinity DataKi:  2.20nMAssay 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 50640719BDBM50640719(CHEMBL5593042)
Affinity DataKi:  4.5nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
University of Florence

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640719BDBM50640719(CHEMBL5593042)
Affinity DataKi:  8.90nMAssay 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 50640719BDBM50640719(CHEMBL5593042)
Affinity DataKi:  50nMAssay 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 50640719BDBM50640719(CHEMBL5593042)
Affinity DataKi:  94nMAssay 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