Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50208343
Substrate
n/a
Meas. Tech.
ChEMBL_438532 (CHEMBL887631)
Ki
4314±n/a nM
Citation
 Sheppeck, JE; Gilmore, JL; Tebben, A; Xue, CB; Liu, RQ; Decicco, CP; Duan, JJ Hydantoins, triazolones, and imidazolones as selective non-hydroxamate inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 17:2769-74 (2007) [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:
BDBM50208343
Synonyms:
4-((2-methylquinolin-4-yl)methoxy)-N-(2-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)phenyl)benzamide | CHEMBL228318
Type:
Small organic molecule
Emp. Form.:
C27H23N5O3
Mol. Mass.:
465.5032
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2Cc2n[nH]c(=O)[nH]2)c2ccccc2n1
Structure:
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