Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50180609
Substrate
n/a
Meas. Tech.
ChEMBL_1904575 (CHEMBL4406933)
IC50
200±n/a nM
Citation
 Ti, H; Zhou, Y; Liang, X; Li, R; Ding, K; Zhao, X Targeted Treatments for Chronic Obstructive Pulmonary Disease (COPD) Using Low-Molecular-Weight Drugs (LMWDs). J Med Chem 62:5944-5978 (2019) [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:
BDBM50180609
Synonyms:
3-[4-(4-Chlorophenylethynyl)benzoyl]nonanoic acid 1j | CHEMBL199666
Type:
Small organic molecule
Emp. Form.:
C24H25ClO3
Mol. Mass.:
396.907
SMILES:
CCCCCCC(CC(O)=O)C(=O)c1ccc(cc1)C#Cc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: