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BDBM10579 (3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]formamido}-5-{[(2,6-difluorophenyl)methyl]amino}-4-oxopentanoic acid::nicotinyl aspartyl ketone 34

SMILES: OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CNCc1c(F)cccc1F

InChI Key: InChIKey=GGULFOKMDYFZLP-SFHVURJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10579   
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))
BDBM10579
PNG
((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CNCc1c(F)cccc1F |r|
Show InChI InChI=1S/C21H22F2N4O6S/c22-16-2-1-3-17(23)15(16)10-25-11-19(28)18(7-20(29)30)26-21(31)12-6-14(9-24-8-12)34(32,33)27-13-4-5-13/h1-3,6,8-9,13,18,25,27H,4-5,7,10-11H2,(H,26,31)(H,29,30)/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



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