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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50053853   
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
Cathepsin B


(Bos taurus (bovine))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)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,28,34)(H,29,32)(H,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
0.550n/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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)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,28,34)(H,29,32)(H,30,33)
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1.20n/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
Calpain1/2


(Homo sapiens (Human))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)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,28,34)(H,29,32)(H,30,33)
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5n/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