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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Calpain-2' AND taxid = 9940   
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


(Ovis aries (sheep))
BDBM25891
PNG
((2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)7-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-5-12(8-21)18-14/h5-6,8-11,13,15,18H,7H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 25n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25890
PNG
((2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O4S/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 85n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25889
PNG
((2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25887
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25892
PNG
((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)5-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-12(8-21)7-18-14/h6-11,13,15,18H,5H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25894
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 110n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25886
PNG
((2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 135n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25895
PNG
(N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...)
Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 140n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25893
PNG
((2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)8-13(9-22)19-18(25)16(12(3)4)20-17(24)15-7-6-14(10-23)21(15)5/h6-7,9-13,16H,8H2,1-5H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 150n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25888
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O
Show InChI InChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 315n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair