BDBM572145 US11447497, Example 2

SMILES OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1=O)C(=O)COc1c(F)c(F)cc(F)c1F

InChI Key InChIKey=JEYQBANFJYIELI-UHFFFAOYSA-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 = 572145   

TargetCaspase-1(Human)
Histogen

US Patent
LigandPNGBDBM572145(US11447497, Example 2)
Affinity DataIC50: 4nMAssay 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
In Depth
Date in BDB:
11/20/2022
Entry Details
Go to US Patent

TargetCaspase-3(Human)
Histogen

US Patent
LigandPNGBDBM572145(US11447497, Example 2)
Affinity DataIC50: 32nMAssay 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
In Depth
Date in BDB:
11/20/2022
Entry Details
Go to US Patent

TargetCaspase-8(Human)
Histogen

US Patent
LigandPNGBDBM572145(US11447497, Example 2)
Affinity DataIC50: 28nMAssay 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
In Depth
Date in BDB:
11/20/2022
Entry Details
Go to US Patent

TargetCaspase-9(Human)
Histogen

US Patent
LigandPNGBDBM572145(US11447497, Example 2)
Affinity DataIC50: 38nMAssay 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
In Depth
Date in BDB:
11/20/2022
Entry Details
Go to US Patent