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BDBM25893 (2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide::N-heterocyclic dipeptide aldehyde, 11

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O

InChI Key: InChIKey=UPCQARHTGIPCQK-BBRMVZONSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25893   
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))
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

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-1


(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

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