BDBM572146 US11447497, Example 3

SMILES OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1ccnc(n1)C(F)(F)F

InChI Key InChIKey=CIDFSOFEWVUWHQ-INIZCTEOSA-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 = 572146   

TargetCaspase-1(Human)
Histogen

US Patent
LigandPNGBDBM572146(US11447497, Example 3)
Affinity DataIC50:  65nMAssay 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(Human)
Histogen

US Patent
LigandPNGBDBM572146(US11447497, Example 3)
Affinity DataIC50:  1.00E+3nMAssay 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(Human)
Histogen

US Patent
LigandPNGBDBM572146(US11447497, Example 3)
Affinity DataIC50:  396nMAssay 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(Human)
Histogen

US Patent
LigandPNGBDBM572146(US11447497, Example 3)
Affinity DataIC50:  1.00E+3nMAssay 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