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Target
Collagenase 3
Ligand
BDBM50170207
Substrate
n/a
Meas. Tech.
ChEMBL_305159 (CHEMBL832750)
IC50
2500±n/a nM
Citation
 Dublanchet, AC; Ducrot, P; Andrianjara, C; O'Gara, M; Morales, R; Compère, D; Denis, A; Blais, S; Cluzeau, P; Courté, K; Hamon, J; Moreau, F; Prunet, ML; Tertre, A Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors. Bioorg Med Chem Lett 15:3787-90 (2005) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50170207
Synonyms:
CHEMBL180762 | [4-(2'-Hydroxy-biphenyl-4-yl)-thiophene-2-carbonyl]-carbamic acid 4-methyl-benzyl ester
Type:
Small organic molecule
Emp. Form.:
C26H21NO4S
Mol. Mass.:
443.514
SMILES:
Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2O)cc1
Structure:
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