BindingDB logo
myBDB logout

BDBM10558 (3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid::aspartyl aldehyde 5

SMILES: OC(=O)C[C@H](NC(=O)c1ccccn1)C=O

InChI Key: InChIKey=ODTNSYRWBQGPRL-JLDDOWRYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10558   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-3


(Homo sapiens (Human))
BDBM10558
PNG
((3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid ...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccccn1)C=O
Show InChI InChI=1/C10H10N2O4/c13-6-7(5-9(14)15)12-10(16)8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,16)(H,14,15)/t7-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+4n/an/an/an/a7.037



Merck Frosst Canada & Co.



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 13: 2137-40 (2003)


Article DOI: 10.1016/s0960-894x(03)00390-1
BindingDB Entry DOI: 10.7270/Q25D8Q2X
More data for this
Ligand-Target Pair