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BDBM50042421 3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-2-oxo-pentanoic acid ethyl ester::CHEMBL117776

SMILES: CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=RFLQJGASGWLMCH-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042421   
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))
BDBM50042421
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-5-21(24(30)27(33)34-6-2)28-25(31)22(17-18(3)4)29-26(32)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,31)(H,29,32)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
100n/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))
BDBM50042421
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-5-21(24(30)27(33)34-6-2)28-25(31)22(17-18(3)4)29-26(32)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,31)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
200n/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