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BDBM50042423 CHEMBL325401::[1-(1-Aminooxalyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

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

InChI Key: InChIKey=YLELJBQQWFIURX-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50042423   
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))
BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
19n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0


Citation and Details
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens-Homo sapiens (Human))
BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
PDB

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antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
280n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
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UniChem

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PubMed
3.40E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
1.90E+5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-ketoesters towards papain at pH 6.0


Citation and Details
More data for this
Ligand-Target Pair