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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calpain 2' AND taxid = 9913   
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 2


(Bos taurus)
BDBM50039995
PNG
(CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...)
Show SMILES CCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c1-4-26-23(29)22(16-19-11-7-5-8-12-19)27-24(30)21(15-18(2)3)28-25(31)32-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t21-,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
40n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity on bovine calpain 2 from heart


J Med Chem 37: 2918-29 (1994)

More data for this
Ligand-Target Pair
Calpain 2


(Bos taurus)
BDBM50039994
PNG
(CHEMBL419898 | [(S)-1-(1-Ethylcarbamoyl-butylcarba...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC
Show InChI InChI=1S/C21H33N3O4/c1-5-10-17(19(25)22-6-2)23-20(26)18(13-15(3)4)24-21(27)28-14-16-11-8-7-9-12-16/h7-9,11-12,15,17-18H,5-6,10,13-14H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)/t17?,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
50n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity on bovine calpain 2 from heart


J Med Chem 37: 2918-29 (1994)

More data for this
Ligand-Target Pair
Calpain 2


(Bos taurus)
BDBM50039993
PNG
(CHEMBL330186 | [(S)-1-(3-Ethylcarbamoyl-propylcarb...)
Show SMILES CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H31N3O4/c1-4-21-18(24)11-8-12-22-19(25)17(13-15(2)3)23-20(26)27-14-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
138n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity on bovine calpain II from heart


J Med Chem 37: 2918-29 (1994)

More data for this
Ligand-Target Pair