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BDBM50286447 CHEMBL2370670::[1-(2-Formyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C=O

InChI Key: InChIKey=QRONLDFFPZYHDZ-HOTGVXAUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286447   
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))
BDBM50286447
PNG
(CHEMBL2370670 | [1-(2-Formyl-pyrrolidine-1-carbony...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C=O |r|
Show InChI InChI=1S/C18H24N2O4/c1-13(2)16(17(22)20-10-6-9-15(20)11-21)19-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15-16H,6,9-10,12H2,1-2H3,(H,19,23)/t15-,16-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
n/an/a>1.00E+3n/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