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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50053821'   
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-2 catalytic subunit


(Homo sapiens (Human))		BDBM50053821
PNG
(CHEMBL133634 | {1-[1-(3-Imidazol-1-yl-propylaminoo...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C25H35N5O5/c1-4-20(22(31)24(33)27-11-8-13-30-14-12-26-17-30)28-23(32)21(15-18(2)3)29-25(34)35-16-19-9-6-5-7-10-19/h5-7,9-10,12,14,17-18,20-21H,4,8,11,13,15-16H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 68n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2

J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair