Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM256502
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.6±n/a
Temperature
310.15±n/a K
IC50
<100±n/a nM
Comments
extracted
Citation
 Sucholeiki, I Matrix metalloproteinase inhibitors and methods for the treatment of pain and other diseases US Patent  US9505743 Publication Date 11/29/2016 
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:
BDBM256502
Synonyms:
US9505743, 70
Type:
Small organic molecule
Emp. Form.:
C22H20N4O5
Mol. Mass.:
420.418
SMILES:
COc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)c1
Structure:
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