Reaction Details  Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50299055
Substrate
n/a
Meas. Tech.
ChEMBL_591598 (CHEMBL1042351)
IC50
140±n/a nM
Citation
 Nuti, E; Panelli, L; Casalini, F; Avramova, SI; Orlandini, E; Santamaria, S; Nencetti, S; Tuccinardi, T; Martinelli, A; Cercignani, G; D'Amelio, N; Maiocchi, A; Uggeri, F; Rossello, A Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors. J Med Chem 52:6347-61 (2009) [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:
BDBM50299055
Synonyms:
CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)phenyl]acetic Acid
Type:
Small organic molecule
Emp. Form.:
C21H18O5S
Mol. Mass.:
382.43
SMILES:
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Structure:
Search PDB for entries with ligand similarity: