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Target
Collagenase 3
Ligand
BDBM50562660
Substrate
n/a
Meas. Tech.
ChEMBL_2079784 (CHEMBL4735575)
IC50
37000±n/a nM
Citation
 Rocchi, D; Blázquez-Barbadillo, C; Agamennone, M; Laghezza, A; Tortorella, P; Vicente-Zurdo, D; Rosales-Conrado, N; Moyano, P; Pino, JD; González, JF; Menéndez, JC Discovery of 7-aminophenanthridin-6-one as a new scaffold for matrix metalloproteinase inhibitors with multitarget neuroprotective activity. Eur J Med Chem 210:0 (2021) [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:
Human
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50562660
Synonyms:
CHEMBL4753504
Type:
Small organic molecule
Emp. Form.:
C28H24N2O4
Mol. Mass.:
452.5012
SMILES:
COc1ccc(Nc2cc(cc3c4ccc(OC)c(OC)c4[nH]c(=O)c23)-c2ccccc2)cc1
Structure:
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