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SMILES: CCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=CZZSPOIRUMSZGT-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343068   
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 catalytic subunit


(Homo sapiens (Human))		BDBM50343068
PNG
((S)-N-benzyl-3-(2-(3,4-dihydroxybenzylidene)butana...)
Show SMILES CCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 |r,w:3.3|
Show InChI InChI=1S/C28H28N2O5/c1-2-22(15-21-13-14-24(31)25(32)17-21)27(34)30-23(16-19-9-5-3-6-10-19)26(33)28(35)29-18-20-11-7-4-8-12-20/h3-15,17,23,31-32H,2,16,18H2,1H3,(H,29,35)(H,30,34)/t23-/m0/s1
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Article
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n/an/a 610n/an/an/an/an/an/a



College of Pharmacy Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery

Bioorg Med Chem Lett 21: 2850-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.077
BindingDB Entry DOI: 10.7270/Q27P8ZQQ
More data for this
Ligand-Target Pair