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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 13063   

TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  340nMAssay Description:Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  340nMAssay Description:Binding affinity to human recombinant CA4 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  340nMAssay Description:Inhibitory activity against CA4 isolated from bovine lung microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  1.34E+3nMAssay Description:Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataKi:  1.34E+3nMAssay Description:Inhibitory activity against human carbonic anhydrase IV (hCAIV)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataIC50:  340nMpH: 7.4 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))
Universit£

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Affinity DataIC50:  340nMAssay Description:Inhibitory activity of compound against bovine carbonic anhydrase IVMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed