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BDBM25888 (2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(1H-pyrrol-2-ylformamido)butanamide::N-heterocyclic dipeptide aldehyde, 6

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O

InChI Key: InChIKey=QQXHCWVASSFMJS-JSGCOSHPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25888   
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-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 |r|
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
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)


Article DOI: 10.1016/j.bmc.2008.05.048
More data for this
Ligand-Target Pair
Calpain-1


(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 |r|
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/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)


Article DOI: 10.1016/j.bmc.2008.05.048
More data for this
Ligand-Target Pair