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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50101324   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Calpain small subunit 1


(Sus scrofa)		BDBM50101324
PNG
(CHEMBL176188 | {(S)-1-[(S)-1-Benzyl-2-(ethoxy-meth...)
Show SMILES CCON(C)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O6/c1-5-36-30(4)26(33)24(31)22(17-20-12-8-6-9-13-20)28-25(32)23(16-19(2)3)29-27(34)35-18-21-14-10-7-11-15-21/h6-15,19,22-23H,5,16-18H2,1-4H3,(H,28,32)(H,29,34)/t22-,23-/m0/s1
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PubMed
 750n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme

Bioorg Med Chem Lett 11: 1753-5 (2001)


BindingDB Entry DOI: 10.7270/Q26972V8
More data for this
Ligand-Target Pair