BDBM50321258 5-oxo-1-tosyl-2,5-dihydro-1Hpyrrol-2-yl acetate::CA inhibitor, 17::CHEMBL1164744

SMILES CC(=O)OC1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1

InChI Key InChIKey=JVIFWMPUUHEQPE-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 = 50321258   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM50321258(5-oxo-1-tosyl-2,5-dihydro-1Hpyrrol-2-yl acetate | ...)
Affinity DataKi:  316nM ΔG°:  -8.86kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM50321258(5-oxo-1-tosyl-2,5-dihydro-1Hpyrrol-2-yl acetate | ...)
Affinity DataKi:  392nM ΔG°:  -8.73kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM50321258(5-oxo-1-tosyl-2,5-dihydro-1Hpyrrol-2-yl acetate | ...)
Affinity DataKi:  730nMAssay Description:Inhibition of esterase activity of human carbonic anhydrase 2 by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM50321258(5-oxo-1-tosyl-2,5-dihydro-1Hpyrrol-2-yl acetate | ...)
Affinity DataKi:  2.57E+4nMAssay Description:Inhibition of esterase activity of human carbonic anhydrase 1 by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed