BDBM160813 US10167313, Compound 82::US9045524, 82

SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O

InChI Key InChIKey=CEFXQYILQBZDCM-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 160813   

TargetCaspase-1(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 500nMT: 2°CAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent

TargetCaspase-5(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 3.00E+3nMT: 2°CAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent

TargetCaspase-7(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 5.00E+3nMT: 2°CAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent

TargetCaspase-9(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 1.60E+3nMT: 2°CAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent

TargetCaspase-3(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 300nMAssay Description:To test the efficacy of caspase-3 inhibitors at the cellular level, the ability of selected compounds to inhibit the proteolytic cleavage of PARP (po...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent

TargetCaspase-1(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 500nMAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent

TargetCaspase-3(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 300nMAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent

TargetCaspase-5(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 3.00E+3nMAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent

TargetCaspase-7(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 5.00E+3nMAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent

TargetCaspase-9(Human)
Novagenesis Foundation

US Patent
LigandPNGBDBM160813(US9045524, 82 | US10167313, Compound 82)
Affinity DataIC50: 1.60E+3nMAssay Description:Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent