Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50215989
Substrate
n/a
Meas. Tech.
ChEMBL_456578 (CHEMBL922944)
Ki
958±n/a nM
Citation
 Gilmore, JL; King, BW; Asakawa, N; Harrison, K; Tebben, A; Sheppeck, JE; Liu, RQ; Covington, M; Duan, JJ Synthesis and structure-activity relationship of a novel, non-hydroxamate series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 17:4678-82 (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:
BDBM50215989
Synonyms:
CHEMBL392232 | cis-N-(1-methyl-4-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-3-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C26H28N6O2S
Mol. Mass.:
488.605
SMILES:
CN1CC[C@@H]([C@@H](C1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)c1n[nH]c(=S)[nH]1
Structure:
Search PDB for entries with ligand similarity: