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Target
Collagenase 3
Ligand
BDBM50386430
Substrate
n/a
Meas. Tech.
ChEMBL_827027 (CHEMBL2050091)
IC50
0.030000±n/a nM
Citation
 Gege, C; Bao, B; Bluhm, H; Boer, J; Gallagher, BM; Korniski, B; Powers, TS; Steeneck, C; Taveras, AG; Baragi, VM Discovery and evaluation of a non-Zn chelating, selective matrix metalloproteinase 13 (MMP-13) inhibitor for potential intra-articular treatment of osteoarthritis. J Med Chem 55:709-16 (2012) [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:
BDBM50386430
Synonyms:
CHEMBL2047536
Type:
Small organic molecule
Emp. Form.:
C28H24N6O6
Mol. Mass.:
540.5268
SMILES:
Cc1c2CC[C@H](NC(=O)c3cc(nc4ccnn34)C(=O)NCc3ccc4OCC(=O)Nc4c3)c2ccc1C(O)=O |r|
Structure:
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