BDBM572147 US11447497, Example 4

SMILES OC(=O)C[C@H](NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F

InChI Key InChIKey=SHDGJJPFMISTHO-KRWDZBQOSA-N

Data  4 IC50

  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 4 hits for monomerid = 572147   

TargetCaspase-1(Homo sapiens (Human))
Histogen

US Patent
LigandPNGBDBM572147(US11447497, Example 4)
Affinity DataIC50:  2nMAssay Description:Caspase-1 was diluted to 10 U/μl in assay buffer consisting of 50 mM HEPES, pH 7.4, 100 mM NaCl, 0.1% CHAPS, 1 mM EDTA, 10% glycerol and 10 mM D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCaspase-9(Homo sapiens (Human))
Histogen

US Patent
LigandPNGBDBM572147(US11447497, Example 4)
Affinity DataIC50:  107nMAssay Description:Caspase-1 was diluted to 10 U/μl in assay buffer consisting of 50 mM HEPES, pH 7.4, 100 mM NaCl, 0.1% CHAPS, 1 mM EDTA, 10% glycerol and 10 mM D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCaspase-8(Homo sapiens (Human))
Histogen

US Patent
LigandPNGBDBM572147(US11447497, Example 4)
Affinity DataIC50:  1nMAssay Description:Caspase-1 was diluted to 10 U/μl in assay buffer consisting of 50 mM HEPES, pH 7.4, 100 mM NaCl, 0.1% CHAPS, 1 mM EDTA, 10% glycerol and 10 mM D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCaspase-3(Homo sapiens (Human))
Histogen

US Patent
LigandPNGBDBM572147(US11447497, Example 4)
Affinity DataIC50:  200nMAssay Description:Caspase-1 was diluted to 10 U/μl in assay buffer consisting of 50 mM HEPES, pH 7.4, 100 mM NaCl, 0.1% CHAPS, 1 mM EDTA, 10% glycerol and 10 mM D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent