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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50042415   
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))
BDBM50042415
PNG
(CHEMBL444594 | [1-(1-Butylaminooxalyl-propylcarbam...)
Show SMILES CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H35N3O5/c1-5-7-13-24-22(29)20(27)18(6-2)25-21(28)19(14-16(3)4)26-23(30)31-15-17-11-9-8-10-12-17/h8-12,16,18-19H,5-7,13-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)
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PubMed
50n/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
Calpain small subunit 1/1 catalytic subunit


(Homo sapiens (Human))
BDBM50042415
PNG
(CHEMBL444594 | [1-(1-Butylaminooxalyl-propylcarbam...)
Show SMILES CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H35N3O5/c1-5-7-13-24-22(29)20(27)18(6-2)25-21(28)19(14-16(3)4)26-23(30)31-15-17-11-9-8-10-12-17/h8-12,16,18-19H,5-7,13-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)
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PubMed
200n/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
Cathepsin B


(Bos taurus (bovine))
BDBM50042415
PNG
(CHEMBL444594 | [1-(1-Butylaminooxalyl-propylcarbam...)
Show SMILES CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H35N3O5/c1-5-7-13-24-22(29)20(27)18(6-2)25-21(28)19(14-16(3)4)26-23(30)31-15-17-11-9-8-10-12-17/h8-12,16,18-19H,5-7,13-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)
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1.30E+4n/an/an/an/an/an/a5.2n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2


J Med Chem 36: 3472-80 (1993)


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


(Carica papaya)
BDBM50042415
PNG
(CHEMBL444594 | [1-(1-Butylaminooxalyl-propylcarbam...)
Show SMILES CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H35N3O5/c1-5-7-13-24-22(29)20(27)18(6-2)25-21(28)19(14-16(3)4)26-23(30)31-15-17-11-9-8-10-12-17/h8-12,16,18-19H,5-7,13-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)
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PubMed
9.30E+4n/an/an/an/an/an/a6.0n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-ketoesters towards papain at pH 6.0


J Med Chem 36: 3472-80 (1993)


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