Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM26566
Substrate
MMP Substrate Peptide
Meas. Tech.
Enzyme Inhibition Assay
Ki
85±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
More Info.:
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:
BDBM26566
Synonyms:
(3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-benzofuran-3-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide | 2-isopropylbenzofuran, 27
Type:
Small organic molecule
Emp. Form.:
C24H27N3O4
Mol. Mass.:
421.4889
SMILES:
CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
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