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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50101323'   
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)		BDBM50101323
PNG
(CHEMBL48567 | {(S)-1-[(S)-1-Benzyl-2-(benzyloxy-et...)
Show SMILES CCN(OCc1ccccc1)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H39N3O6/c1-4-36(42-23-27-18-12-7-13-19-27)32(39)30(37)28(21-25-14-8-5-9-15-25)34-31(38)29(20-24(2)3)35-33(40)41-22-26-16-10-6-11-17-26/h5-19,24,28-29H,4,20-23H2,1-3H3,(H,34,38)(H,35,40)/t28-,29-/m0/s1
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PubMed
 2.80E+4n/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