BDBM10887 Sulfamate 7::Topiramate (TPM)::US11535599, Example topiramate::[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate

SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

InChI Key InChIKey=KJADKKWYZYXHBB-UHFFFAOYSA-N

Data  291 KI  12 IC50  4 Kd

  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 307 hits for monomerid = 10887   Sort by

TargetCarbonic anhydrase 4(Bovine)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 54nMAssay Description:Inhibitory activity of compound against bovine carbonic anhydrase IVMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 250nMAssay Description:Inhibitory activity of compound against human carbonic anhydrase IMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 5nMAssay Description:Inhibitory activity of compound against human carbonic anhydrase IIMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKd:  290nMAssay Description:Binding affinity to human CA2 by ThermoFluor assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Rat)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition concentration against carbonic anhydrase II in rat determined in esterase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
Istituto Di Biostrutture E Bioimmagini-Cnr

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKd:  25.4nMAssay Description:Inhibition of human carbonic anhydrase 5AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKd:  13.8nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium channel protein type 2 subunit alpha(Rat)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 9.70E+4nMAssay Description:Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKd:  290nMpH: 7.5Assay Description:Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataIC50: 170nMMore data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.870nMAssay Description:Ki value against human carbonic anhydrase VIIMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.870nMAssay Description:Inhibition of human carbonic anhydrase 7 by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay 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 Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay 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 Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant CAH7More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human carbonic anhydrase 7More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of full length human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of recombinant human CA7 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to human recombinant carbonic anhydrase 7 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.5nMAssay Description:Ki value against human carbonic anhydrase XII (hCA XII)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay 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 Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay 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 Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human carbonic anhydrase 12More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human membrane bound carbonic anhydrase 12 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  3.80nMAssay Description:Binding affinity to human recombinant carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCarbonic anhydrase 2(Human)
Bruker-Axs

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl...)
Affinity DataKi:  5nM ΔG°:  -11.2kcal/molepH: 7.5 T: 2°CAssay 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 Article
PubMed
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