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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calpain 1/2' AND taxid = 9031   
Target
(Institution)
LigandTarget
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 1/2


(Gallus gallus)
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
10n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken gizzard smooth muscle calpain


Bioorg Med Chem Lett 9: 139-40 (1999)

More data for this
Ligand-Target Pair
Calpain 1/2


(Gallus gallus)
BDBM50073851
PNG
(((1S,4R)-4-Benzyl-1-isopropyl-2,5-dioxo-pentyl)-ca...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H27NO4/c1-17(2)22(24-23(27)28-16-19-11-7-4-8-12-19)21(26)14-20(15-25)13-18-9-5-3-6-10-18/h3-12,15,17,20,22H,13-14,16H2,1-2H3,(H,24,27)/t20-,22+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken gizzard smooth muscle calpain


Bioorg Med Chem Lett 9: 139-40 (1999)

More data for this
Ligand-Target Pair
Calpain 1/2


(Gallus gallus)
BDBM50073849
PNG
(((S)-1-Isopropyl-4-methyl-2,5-dioxo-pentyl)-carbam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CC(C)C=O
Show InChI InChI=1S/C17H23NO4/c1-12(2)16(15(20)9-13(3)10-19)18-17(21)22-11-14-7-5-4-6-8-14/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,18,21)/t13?,16-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken gizzard smooth muscle calpain


Bioorg Med Chem Lett 9: 139-40 (1999)

More data for this
Ligand-Target Pair