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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50053846   
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))
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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Article
PubMed
74n/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
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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Article
PubMed
760n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


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
Cathepsin B


(Homo sapiens (Human))
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


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