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BDBM50053833 CHEMBL132987::{1-[1-(2-Hydroxy-2-naphthalen-1-yl-ethylaminooxalyl)-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12

InChI Key: InChIKey=ODDXFSGPQQWPEO-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053833   
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
Cathepsin B


(Bos taurus (bovine))
BDBM50053833
PNG
(CHEMBL132987 | {1-[1-(2-Hydroxy-2-naphthalen-1-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-16-10-14-22-13-8-9-15-23(22)24)33-29(37)26(17-20(2)3)34-31(39)40-19-21-11-6-5-7-12-21/h5-16,20,25-27,35H,4,17-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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PC cid
PC sid
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0.0630n/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
Calpain1/2


(Homo sapiens (Human))
BDBM50053833
PNG
(CHEMBL132987 | {1-[1-(2-Hydroxy-2-naphthalen-1-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-16-10-14-22-13-8-9-15-23(22)24)33-29(37)26(17-20(2)3)34-31(39)40-19-21-11-6-5-7-12-21/h5-16,20,25-27,35H,4,17-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.120n/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))
BDBM50053833
PNG
(CHEMBL132987 | {1-[1-(2-Hydroxy-2-naphthalen-1-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-16-10-14-22-13-8-9-15-23(22)24)33-29(37)26(17-20(2)3)34-31(39)40-19-21-11-6-5-7-12-21/h5-16,20,25-27,35H,4,17-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.170n/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