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BDBM50053840 (1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL130756

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC

InChI Key: InChIKey=DQCYYWKVEFPNIO-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053840   
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))
BDBM50053840
PNG
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
0.130n/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)

More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053840
PNG
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/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)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053840
PNG
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.630n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair