BDBM13063 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide::Bextra::CHEMBL865::VLX::Valdecoxib::cid_119607

SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1

InChI Key InChIKey=LNPDTQAFDNKSHK-UHFFFAOYSA-N

Data  123 KI  31 IC50  8 EC50

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 13063   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Birla Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  13nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Birla Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  27nMAssay Description:Inhibition of human membrane bound carbonic anhydrase 9 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Birla Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  43nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Birla Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  3.90E+3nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Birla Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  5.40E+4nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 1 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 ArticlePubMed