Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50333938
Substrate
n/a
Meas. Tech.
ChEMBL_700258 (CHEMBL1647476)
IC50
200±n/a nM
Citation
 Badland, M; Compère, D; Courté, K; Dublanchet, AC; Blais, S; Manage, A; Peron, G; Wrigglesworth, R Thiophene and bioisostere derivatives as new MMP12 inhibitors. Bioorg Med Chem Lett 21:528-30 (2010) [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:
BDBM50333938
Synonyms:
(R)-3-(5-fluoro-4-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamido)-3-phenylpropanoic acid | CHEMBL1644427
Type:
Small organic molecule
Emp. Form.:
C21H15F4NO4S
Mol. Mass.:
453.407
SMILES:
OC(=O)C[C@@H](NC(=O)c1cc(c(F)s1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 |r|
Structure:
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