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BDBM50073851 ((1S,4R)-4-Benzyl-1-isopropyl-2,5-dioxo-pentyl)-carbamic acid benzyl ester::CHEMBL32059

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

InChI Key: InChIKey=FELPXNLXCKIGDY-IRLDBZIGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073851   
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 1/2


(Gallus gallus)		BDBM50073851
PNG
(((1S,4R)-4-Benzyl-1-isopropyl-2,5-dioxo-pentyl)-ca...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H27NO4/c1-17(2)22(24-23(27)28-16-19-11-7-4-8-12-19)21(26)14-20(15-25)13-18-9-5-3-6-10-18/h3-12,15,17,20,22H,13-14,16H2,1-2H3,(H,24,27)/t20-,22+/m1/s1
KEGG

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PC sid
UniChem

Similars
PubMed
 2.50E+3n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken gizzard smooth muscle calpain

Bioorg Med Chem Lett 9: 139-40 (1999)


BindingDB Entry DOI: 10.7270/Q2DN4476
More data for this
Ligand-Target Pair