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BDBM50053805 (1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-ethylcarbamoyl]-2-oxo-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL337830

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=BOVPSXHLLSLLHY-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053805   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain1/2


(Homo sapiens (Human))
BDBM50053805
PNG
((1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-e...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C39H43N3O7/c1-27(2)22-34(42-39(47)49-26-30-16-10-5-11-17-30)37(45)41-33(23-28-12-6-3-7-13-28)36(44)38(46)40-24-35(43)31-18-20-32(21-19-31)48-25-29-14-8-4-9-15-29/h3-21,27,33-35,43H,22-26H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)
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0.200n/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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053805
PNG
((1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-e...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C39H43N3O7/c1-27(2)22-34(42-39(47)49-26-30-16-10-5-11-17-30)37(45)41-33(23-28-12-6-3-7-13-28)36(44)38(46)40-24-35(43)31-18-20-32(21-19-31)48-25-29-14-8-4-9-15-29/h3-21,27,33-35,43H,22-26H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)
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antibodypedia
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PC sid
UniChem
Article
PubMed
0.240n/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
Cathepsin B


(Bos taurus (bovine))
BDBM50053805
PNG
((1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-e...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C39H43N3O7/c1-27(2)22-34(42-39(47)49-26-30-16-10-5-11-17-30)37(45)41-33(23-28-12-6-3-7-13-28)36(44)38(46)40-24-35(43)31-18-20-32(21-19-31)48-25-29-14-8-4-9-15-29/h3-21,27,33-35,43H,22-26H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.380n/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