Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50505152
Substrate
n/a
Meas. Tech.
ChEMBL_1821472 (CHEMBL4321132)
Ki
0.900000±n/a nM
Citation
 Talma, M; Ma?lanka, M; Mucha, A Recent developments in the synthesis and applications of phosphinic peptide analogs. Bioorg Med Chem Lett 29:1031-1042 (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:
BDBM50505152
Synonyms:
CHEMBL4435285
Type:
Small organic molecule
Emp. Form.:
C84H96BrClN7O24PS4
Mol. Mass.:
1862.284
SMILES:
CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3cc(no3)-c3ccc(cc3)-c3cccc(Cl)c3)CP(O)(=O)c3ccc(Br)cc3)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S([O-])(=O)=O |r,c:2|
Structure:
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