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BDBM50042398 CHEMBL117840::[1-(1-Aminooxalyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

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

InChI Key: InChIKey=GLNKVXFQBYGNDP-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042398   
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 1/small subunit 1


(Homo sapiens-Homo sapiens (Human))
BDBM50042398
PNG
(CHEMBL117840 | [1-(1-Aminooxalyl-butylcarbamoyl)-3...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C20H29N3O5/c1-4-8-15(17(24)18(21)25)22-19(26)16(11-13(2)3)23-20(27)28-12-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
69n/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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50042398
PNG
(CHEMBL117840 | [1-(1-Aminooxalyl-butylcarbamoyl)-3...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C20H29N3O5/c1-4-8-15(17(24)18(21)25)22-19(26)16(11-13(2)3)23-20(27)28-12-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
78n/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