BDBM50163316 CHEMBL177425::N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl}sulfamide::Sulfamic acid (3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxo-tetrahydro-2lambda*6*-[1,3,2]dioxathiolo[4,5-d][1,3]dioxalo[4,5-b]pyran-5a-ylmethyl amine

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

InChI Key InChIKey=GQKDYKBJRUWPQU-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50163316   

TargetCarbonic anhydrase 2(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50163316(N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetr...)
Affinity DataKd:  1.25E+4nMAssay Description:Binding affinity to human CA2 by ThermoFluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50163316(N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetr...)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50163316(N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetr...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed