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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50014577   
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-1 catalytic subunit


(Homo sapiens (Human))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
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8n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Sus scrofa (pig))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115433
BindingDB Entry DOI: 10.7270/Q2JM2F55
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
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24n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin B receptor in human liver


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of alpha-chymotrypsin


J Med Chem 33: 11-3 (1990)


BindingDB Entry DOI: 10.7270/Q2K93847
More data for this
Ligand-Target Pair