BDBM14720 1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2,6-diisopropyl-4-methylpyridinium perchlorate::4-methyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14c

SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key InChIKey=IOVFZDQUWQWZBK-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 = 14720   

TargetCarbonic anhydrase 2(Human)
Canadian Institutes of Health Research

LigandPNGBDBM14720(4-methyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1...)
Affinity DataKi:  1.54nMAssay 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 Depth
Date in BDB:
4/9/2007
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Bovine)
Canadian Institutes of Health Research

LigandPNGBDBM14720(4-methyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1...)
Affinity DataKi:  4.70nMAssay 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 Depth
Date in BDB:
4/9/2007
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Canadian Institutes of Health Research

LigandPNGBDBM14720(4-methyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1...)
Affinity DataKi:  7nM ΔG°:  -11.1kcal/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 Depth
Date in BDB:
4/9/2007
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Canadian Institutes of Health Research

LigandPNGBDBM14720(4-methyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1...)
Affinity DataKi:  16nMAssay 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 Depth
Date in BDB:
4/9/2007
Entry Details Article
PubMed