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BDBM50053854 (1-{1-[2-(4-Hydroxy-phenyl)-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL130753

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(O)cc1

InChI Key: InChIKey=LAMTYMVWEHUWRZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50053854   
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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053854
PNG
((1-{1-[2-(4-Hydroxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H35N3O6/c1-4-22(24(32)26(34)28-15-14-19-10-12-21(31)13-11-19)29-25(33)23(16-18(2)3)30-27(35)36-17-20-8-6-5-7-9-20/h5-13,18,22-23,31H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0600n/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))
BDBM50053854
PNG
((1-{1-[2-(4-Hydroxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H35N3O6/c1-4-22(24(32)26(34)28-15-14-19-10-12-21(31)13-11-19)29-25(33)23(16-18(2)3)30-27(35)36-17-20-8-6-5-7-9-20/h5-13,18,22-23,31H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 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