BDBM511576 US11059794, Example 6.36::tert-butyl 4-(4- sulfamoylphenyl)sulfonylpiperazine- 1-carboyxlate (intermediate 4)/3- [2-[(5-methyltetrazol-2-yl)methyl]- 4- (trifluoromethyl)phenyl]propanoic acid (CAS-RN 1646783-83-6)

SMILES Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)N)C(F)(F)F

InChI Key InChIKey=MYBWJHNUYIIVMQ-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 511576   

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 511576BDBM511576(tert-butyl 4-(4- sulfamoylphenyl)sulfonylpiperazin...)
Affinity DataIC50: 60.6nMAssay 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

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 511576BDBM511576(tert-butyl 4-(4- sulfamoylphenyl)sulfonylpiperazin...)
Affinity DataIC50: 62nMAssay 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
PDB3D3D Structure (crystal)