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Target
Macrophage metalloelastase
Ligand
BDBM50227565
Substrate
n/a
Meas. Tech.
ChEMBL_459971 (CHEMBL943099)
IC50
67000±n/a nM
Citation
 Hayashi, R; Jin, X; Cook, GR Synthesis and evaluation of novel heterocyclic MMP inhibitors. Bioorg Med Chem Lett 17:6864-70 (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:
BDBM50227565
Synonyms:
3-methylbut-2-enyl 6-oxo-1,6-dihydropyridine-2-carboxylate | CHEMBL254627
Type:
Small organic molecule
Emp. Form.:
C11H13NO3
Mol. Mass.:
207.2258
SMILES:
CC(C)=CCOC(=O)c1cccc(=O)[nH]1 |(26.33,1.58,;26.33,3.12,;27.66,3.89,;25,3.89,;23.66,3.12,;22.33,3.89,;20.99,3.12,;20.99,1.58,;19.66,3.9,;19.66,5.44,;18.33,6.21,;17,5.44,;17,3.9,;15.67,3.12,;18.33,3.13,)|
Structure:
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