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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50069792   
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


(Homo sapiens (Human))
BDBM50069792
PNG
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r|
Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
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Article
PubMed
150n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Bioorg Med Chem Lett 18: 4806-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.094
BindingDB Entry DOI: 10.7270/Q2V987W2
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Sus scrofa (pig))
BDBM50069792
PNG
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r|
Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
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MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of pig erythrocyte mu-calpain


Bioorg Med Chem Lett 18: 4806-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.094
BindingDB Entry DOI: 10.7270/Q2V987W2
More data for this
Ligand-Target Pair