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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50042434   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50042434
PNG
(CHEMBL116256 | {3-Methyl-1-[1-(2-phenyl-propylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)c1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-5-23(25(32)27(34)29-17-20(4)22-14-10-7-11-15-22)30-26(33)24(16-19(2)3)31-28(35)36-18-21-12-8-6-9-13-21/h6-15,19-20,23-24H,5,16-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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PC cid
PC sid
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Similars

PubMed
59n/an/an/an/an/an/a8.0n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair
Calpain small subunit 1/1 catalytic subunit


(Homo sapiens (Human))
BDBM50042434
PNG
(CHEMBL116256 | {3-Methyl-1-[1-(2-phenyl-propylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)c1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-5-23(25(32)27(34)29-17-20(4)22-14-10-7-11-15-22)30-26(33)24(16-19(2)3)31-28(35)36-18-21-12-8-6-9-13-21/h6-15,19-20,23-24H,5,16-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
320n/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.


J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair