BDBM511548 US11059794, Example 6.10::tert-butyl 3-(2-fluoro-4- sulfamoylphenyl)sulfanylazetidine- 1-carboxylate (intermediate 9.3)/3- [2-[(5-methyltetrazol-2-yl)methyl]- 4- (trifluoromethyl)phenyl]propanoic acid (CAS-RN 1646783-83-6)

SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC(C2)Sc2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1

InChI Key InChIKey=VNBBIBZHRDGYMA-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 511548   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM511548(tert-butyl 3-(2-fluoro-4- sulfamoylphenyl)sulfanyl...)
Affinity DataIC50: 2nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM511548(tert-butyl 3-(2-fluoro-4- sulfamoylphenyl)sulfanyl...)
Affinity DataIC50: 9.5nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
US Patent