Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50208346
Substrate
n/a
Meas. Tech.
ChEMBL_438531 (CHEMBL887630)
Ki
>5025±n/a nM
Citation
 Sheppeck, JE; Gilmore, JL; Tebben, A; Xue, CB; Liu, RQ; Decicco, CP; Duan, JJ Hydantoins, triazolones, and imidazolones as selective non-hydroxamate inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 17:2769-74 (2007) [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:
BDBM50208346
Synonyms:
4-((2-methylquinolin-4-yl)methoxy)-N-((3R,4S)-4-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl)benzamide | CHEMBL389691
Type:
Small organic molecule
Emp. Form.:
C29H32N6O5
Mol. Mass.:
544.6016
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)N[C@H]2CN(C[C@@H]2c2n[nH]c(=O)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1
Structure:
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