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BDBM25892 (2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide::N-heterocyclic dipeptide aldehyde, 10

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O

InChI Key: InChIKey=ITTQDRIDBLKEQQ-ZFWWWQNUSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 25892   
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))
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
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-1


(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
Article
PubMed
n/an/a 530n/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