BDBM14725 2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14h

SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1

InChI Key InChIKey=GPRWAZNAHSCQBJ-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 = 14725   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Canadian Institutes Of Health Research

LigandPNGBDBM14725(2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...)
Affinity DataKi:  4.62nMAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Canadian Institutes Of Health Research

LigandPNGBDBM14725(2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...)
Affinity DataKi:  10nM ΔG°:  -10.9kcal/molepH: 7.5 T: 2°CAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Canadian Institutes Of Health Research

LigandPNGBDBM14725(2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...)
Affinity DataKi:  10.3nMAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Canadian Institutes Of Health Research

LigandPNGBDBM14725(2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...)
Affinity DataKi:  40nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed