Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50428828
Substrate
n/a
Meas. Tech.
ChEMBL_944091 (CHEMBL2341924)
IC50
0.930000±n/a nM
Citation
 Jain, P; Saravanan, C; Singh, SK Sulphonamides: Deserving class as MMP inhibitors? Eur J Med Chem 60:89-100 (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:
BDBM50428828
Synonyms:
CHEMBL2337131
Type:
Small organic molecule
Emp. Form.:
C22H18Cl2N2O5S
Mol. Mass.:
493.36
SMILES:
ONC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Structure:
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