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BDBM50286444 CHEMBL339000::[(S)-1-((S)-1-Formyl-3-phenyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O

InChI Key: InChIKey=BYUMFTKUIXAFNT-SFTDATJTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286444   
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
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286444
PNG
(CHEMBL339000 | [(S)-1-((S)-1-Formyl-3-phenyl-propy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-17(2)21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-13-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
PDB

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Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair