Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50437787
Substrate
n/a
Meas. Tech.
ChEMBL_973504 (CHEMBL2410678)
IC50
3.3±n/a nM
Citation
 De Savi, C; Waterson, D; Pape, A; Lamont, S; Hadley, E; Mills, M; Page, KM; Bowyer, J; Maciewicz, RA Hydantoin based inhibitors of MMP13--discovery of AZD6605. Bioorg Med Chem Lett 23:4705-12 (2013) [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:
BDBM50437787
Synonyms:
CHEMBL2409700
Type:
Small organic molecule
Emp. Form.:
C17H20F3N3O6S
Mol. Mass.:
451.417
SMILES:
C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O |r|
Structure:
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