Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50168737
Substrate
n/a
Meas. Tech.
ChEMBL_1663588 (CHEMBL4013269)
IC50
<1.000000±n/a nM
Citation
 Durham, TB; Marimuthu, J; Toth, JL; Liu, C; Adams, L; Mudra, DR; Swearingen, C; Lin, C; Chambers, MG; Thirunavukkarasu, K; Wiley, MR A Highly Selective Hydantoin Inhibitor of Aggrecanase-1 and Aggrecanase-2 with a Low Projected Human Dose. J Med Chem 60:5933-5939 (2017) [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:
BDBM50168737
Synonyms:
(2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzenesulfonyl]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL187092
Type:
Small organic molecule
Emp. Form.:
C20H22ClFN2O6S
Mol. Mass.:
472.915
SMILES:
C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Structure:
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