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BDBM50053824 (1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL133521

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

InChI Key: InChIKey=BFOUDLDYLQQVEB-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053824   
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))
BDBM50053824
PNG
((1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H41N3O7/c1-4-28(36-32(40)29(19-23(2)3)37-34(42)44-22-25-13-9-6-10-14-25)31(39)33(41)35-20-30(38)26-15-17-27(18-16-26)43-21-24-11-7-5-8-12-24/h5-18,23,28-30,38H,4,19-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)
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0.0800n/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
Cathepsin B


(Bos taurus (bovine))
BDBM50053824
PNG
((1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H41N3O7/c1-4-28(36-32(40)29(19-23(2)3)37-34(42)44-22-25-13-9-6-10-14-25)31(39)33(41)35-20-30(38)26-15-17-27(18-16-26)43-21-24-11-7-5-8-12-24/h5-18,23,28-30,38H,4,19-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)
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0.110n/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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053824
PNG
((1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H41N3O7/c1-4-28(36-32(40)29(19-23(2)3)37-34(42)44-22-25-13-9-6-10-14-25)31(39)33(41)35-20-30(38)26-15-17-27(18-16-26)43-21-24-11-7-5-8-12-24/h5-18,23,28-30,38H,4,19-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)
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0.120n/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