BDBM50540944 CHEMBL4637053

SMILES NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(cc1)S(N)(=O)=O)Cc1ccc(F)cc1

InChI Key InChIKey=PTOFZDQATQXAPS-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50540944   

TargetCarbonic anhydrase 12(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540944(CHEMBL4637053)
Affinity DataKi:  0.600nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540944(CHEMBL4637053)
Affinity DataKi:  30nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 4(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540944(CHEMBL4637053)
Affinity DataKi:  365nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540944(CHEMBL4637053)
Affinity DataKi:  451nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed