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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50053814   
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))
BDBM50053814
PNG
(CHEMBL131866 | [3-Methyl-1-(1-methylaminooxalyl-pr...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
Show InChI InChI=1S/C20H29N3O5/c1-5-15(17(24)19(26)21-4)22-18(25)16(11-13(2)3)23-20(27)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
83n/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))
BDBM50053814
PNG
(CHEMBL131866 | [3-Methyl-1-(1-methylaminooxalyl-pr...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
Show InChI InChI=1S/C20H29N3O5/c1-5-15(17(24)19(26)21-4)22-18(25)16(11-13(2)3)23-20(27)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
280n/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


(Bos taurus (bovine))
BDBM50053814
PNG
(CHEMBL131866 | [3-Methyl-1-(1-methylaminooxalyl-pr...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
Show InChI InChI=1S/C20H29N3O5/c1-5-15(17(24)19(26)21-4)22-18(25)16(11-13(2)3)23-20(27)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
PDB
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Reactome pathway
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PC sid
UniChem

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Article
PubMed
330n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine 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