Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM400682
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>100000±n/a nM
Citation
 Kamei, N; Sumikawa, Y; Kamimura, D; Todo, S; Yamada, T; Tokuoka, S Pyridone derivative, pharmaceutical containing the same and methods of use thereof US Patent  US10000476 Publication Date 6/19/2018 
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:
BDBM400682
Synonyms:
US10000476, Compound I-41
Type:
Small organic molecule
Emp. Form.:
C23H20FN3O3
Mol. Mass.:
405.4216
SMILES:
Cc1cccn(CC2(NC(=O)NC2=O)c2ccc(Cc3ccc(F)cc3)cc2)c1=O
Structure:
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