BDBM511583 US11059794, Example 6.43::tert-butyl 4-[2-(2,3-difluoro-4- sulfamoylphenyl)sulfinylethyl]- piperidine-1-carboxylate (intermediate 10.6)/3-[2-[(5- methyltetrazol-2-yl)methyl]-4- (trifluoromethyl)phenyl]propanoic acid (CAS-RN 1646783-83-6)

SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)c3ccc(c(F)c3F)S(N)(=O)=O)CC2)C(F)(F)F)n1

InChI Key InChIKey=MSKWBFXEQPGPDS-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 511583   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM511583(tert-butyl 4-[2-(2,3-difluoro-4- sulfamoylphenyl)s...)
Affinity DataIC50: 6nMAssay 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
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Date in BDB:
1/23/2022
Entry Details
US Patent