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BDBM50286453 CHEMBL419423::{(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-oxo-ethylcarbamoyl]-2-methyl-butyl}-carbamic acid benzyl ester

SMILES: CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O

InChI Key: InChIKey=XUZYDWHWSIJZRS-BPWGJPQNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286453   
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))
BDBM50286453
PNG
(CHEMBL419423 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)
Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C23H28N2O5/c1-3-16(2)21(25-23(29)30-15-18-7-5-4-6-8-18)22(28)24-19(14-26)13-17-9-11-20(27)12-10-17/h4-12,14,16,19,21,27H,3,13,15H2,1-2H3,(H,24,28)(H,25,29)/t16?,19-,21-/m0/s1
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PC cid
PC sid
UniChem
Article
n/an/a 55n/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