Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50309154
Substrate
n/a
Meas. Tech.
ChEMBL_608478 (CHEMBL1065139)
Ki
700±n/a nM
Citation
 Rosner, KE; Guo, Z; Orth, P; Shipps, GW; Belanger, DB; Chan, TY; Curran, PJ; Dai, C; Deng, Y; Girijavallabhan, VM; Hong, L; Lavey, BJ; Lee, JF; Li, D; Liu, Z; Popovici-Muller, J; Ting, PC; Vaccaro, H; Wang, L; Wang, T; Yu, W; Zhou, G; Niu, X; Sun, J; Kozlowski, JA; Lundell, DJ; Madison, V; McKittrick, B; Piwinski, JJ; Shih, NY; Arshad Siddiqui, M; Strickland, CO The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg Med Chem Lett 20:1189-93 (2010) [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:
BDBM50309154
Synonyms:
(2R,3R)-N-(2-(4-benzylthiophen-2-yl)ethyl)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide | CHEMBL602949
Type:
Small organic molecule
Emp. Form.:
C27H30N2O4S
Mol. Mass.:
478.603
SMILES:
O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCCc1cc(Cc2ccccc2)cs1 |r|
Structure:
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