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SMILES: CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1

InChI Key: InChIKey=FKRXECWXOZRRNL-AFWZDCSMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282981   
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-1


(Homo sapiens (Human))		BDBM50282981
PNG
(3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1
Show InChI InChI=1S/C30H40N4O6/c1-20(2)28(34-26(36)15-14-22-10-6-4-7-11-22)30(40)32-21(3)29(39)33-24(18-27(37)38)25(35)19-31-17-16-23-12-8-5-9-13-23/h4-13,20-21,24,28,31H,14-19H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t21-,24?,28-/m0/s1
PDB
MMDB

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Similars
Article
 4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)

Bioorg Med Chem Lett 4: 1965-1968 (1994)


Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD
More data for this
Ligand-Target Pair