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Target
Collagenase 3
Ligand
BDBM50372639
Substrate
n/a
Meas. Tech.
ChEMBL_465537 (CHEMBL930770)
IC50
4.24±n/a nM
Citation
 Li, JJ; Nahra, J; Johnson, AR; Bunker, A; O'Brien, P; Yue, WS; Ortwine, DF; Man, CF; Baragi, V; Kilgore, K; Dyer, RD; Han, HK Quinazolinones and pyrido[3,4-d]pyrimidin-4-ones as orally active and specific matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. J Med Chem 51:835-41 (2008) [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:
BDBM50372639
Synonyms:
CHEMBL271997
Type:
Small organic molecule
Emp. Form.:
C23H17FN4O4
Mol. Mass.:
432.4039
SMILES:
OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1
Structure:
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