Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM191768
Substrate
n/a
Meas. Tech.
In vitro MMP-8 Assay
Temperature
310.15±n/a K
IC50
250000±n/a nM
Comments
extracted
Citation
 Johnson, F; Golub, L Curcumin analogues as zinc chelators and their uses US Patent  US9187406 Publication Date 11/17/2015 
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:
BDBM191768
Synonyms:
US9187406, Compound 4
Type:
Small organic molecule
Emp. Form.:
C23H25NO4
Mol. Mass.:
379.4489
SMILES:
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(CN(C)C)cc2)ccc1O
Structure:
Search PDB for entries with ligand similarity: