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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50042421   
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 1/1 catalytic subunit


(Homo sapiens (Human))
BDBM50042421
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-5-21(24(30)27(33)34-6-2)28-25(31)22(17-18(3)4)29-26(32)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,31)(H,29,32)
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PC cid
PC sid
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Similars

PubMed
100n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair
Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50042421
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-5-21(24(30)27(33)34-6-2)28-25(31)22(17-18(3)4)29-26(32)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,31)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
200n/an/an/an/an/an/a8.0n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0


J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair