Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM26571
Substrate
MMP Substrate Peptide
Meas. Tech.
Enzyme Inhibition Assay
Ki
3245±n/a nM
Citation
 Lu, Z; Ott, GR; Anand, R; Liu, RQ; Covington, MB; Vaddi, K; Qian, M; Newton, RC; Christ, DD; Trzaskos, J; Duan, JJ Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett 18:1958-62 (2008) [PubMed]  Article 
Target
Name:
Macrophage metalloelastase
Synonyms:
HME | MMP12 | MMP12_HUMAN | Matrix metalloproteinase 12 | Matrix metalloproteinase-12 (MMP 12) | Matrix metalloproteinase-12 (MMP-12) | Matrix metalloproteinase-12 (MMP12) | Matrix metalloproteinases 12 (MMP-12)
Type:
Enzyme
Mol. Mass.:
54012.99
Organism:
Homo sapiens (Human)
Description:
P39900
Residue:
470
Sequence:
MKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPVTKMKYSGNLMKEKIQEMQHFLGLKVTGQLDTSTLEMMHAPRCGVPDVHHFREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYGDPKENQRLPNPDNSEPALCDPNLSFDAVTTVGNKIFFFKDRFFWLKVSERPKTSVNLISSLWPTLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRPEPNYPKSIHSFGFPNFVKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITKNFQGIGPKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC
  
Inhibitor
Name:
BDBM26571
Synonyms:
(3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl}benzene)oxane-3,4-dicarboxamide | imidazopyridine, 45
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O4
Mol. Mass.:
462.4217
SMILES:
ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MMP Substrate Peptide
Synonyms:
n/a
Type:
Fluorogenic Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
MCA, (7-methoxycoumarin-4-yl)acetyl. Dpa, N-3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl.
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH