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BDBM50286456 CHEMBL129458::[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-3-phenyl-propyl]-carbamic acid benzyl ester

SMILES: O=C[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=XUFBOUSMDJZDOA-DQEYMECFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286456   
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))
BDBM50286456
PNG
(CHEMBL129458 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N2O4/c30-19-24(18-22-12-6-2-7-13-22)28-26(31)25(17-16-21-10-4-1-5-11-21)29-27(32)33-20-23-14-8-3-9-15-23/h1-15,19,24-25H,16-18,20H2,(H,28,31)(H,29,32)/t24-,25-/m0/s1
PDB

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PC cid
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Article
n/an/a 270n/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