BDBM50540948 CHEMBL4633714

SMILES c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3

InChI Key InChIKey=VOLPYGCWCBVKEI-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

  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 = 50540948   

TargetCarbonic anhydrase 2(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540948(CHEMBL4633714)
Affinity DataKi:  2.40nMAssay Description:Inhibition of human CA2 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540948(CHEMBL4633714)
Affinity DataKi:  7.10nMAssay Description:Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540948(CHEMBL4633714)
Affinity DataKi:  80nMAssay Description:Inhibition of human CA1 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540948(CHEMBL4633714)
Affinity DataKi:  336nMAssay Description:Inhibition of human CA4 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed