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BDBM50286449 CHEMBL338859::{(S)-1-[(S)-1-(4-Methoxy-benzyl)-2-oxo-ethylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C=O)cc1

InChI Key: InChIKey=VXFRMVRMWOZAFZ-FPOVZHCZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286449   
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))
BDBM50286449
PNG
(CHEMBL338859 | {(S)-1-[(S)-1-(4-Methoxy-benzyl)-2-...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C=O)cc1
Show InChI InChI=1S/C23H28N2O5/c1-16(2)21(25-23(28)30-15-18-7-5-4-6-8-18)22(27)24-19(14-26)13-17-9-11-20(29-3)12-10-17/h4-12,14,16,19,21H,13,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,21-/m0/s1
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Article
n/an/a 30n/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