Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50170203
Substrate
n/a
Meas. Tech.
ChEMBL_306214 (CHEMBL831123)
IC50
70.0±n/a nM
Citation
 Dublanchet, AC; Ducrot, P; Andrianjara, C; O'Gara, M; Morales, R; Compère, D; Denis, A; Blais, S; Cluzeau, P; Courté, K; Hamon, J; Moreau, F; Prunet, ML; Tertre, A Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors. Bioorg Med Chem Lett 15:3787-90 (2005) [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:
BDBM50170203
Synonyms:
(4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic acid 4-methyl-benzyl ester | CHEMBL179177
Type:
Small organic molecule
Emp. Form.:
C26H21NO3S
Mol. Mass.:
427.515
SMILES:
Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: