Target
Collagenase 3
Ligand
BDBM40459
Substrate
n/a
Meas. Tech.
Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity
IC50
>39840±n/a nM
Citation
 PubChem, PC Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity PubChem Bioassay (2007)[AID] 
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:
BDBM40459
Synonyms:
(3-Trifluoromethyl-5,6,7,8-tetrahydro-4H-cycloheptapyrazol-1-yl)-acetic acid | 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]acetic acid | 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]ethanoic acid | MLS000074058 | SMR000014749 | cid_648619
Type:
Small organic molecule
Emp. Form.:
C11H13F3N2O2
Mol. Mass.:
262.2283
SMILES:
OC(=O)Cn1nc(c2CCCCCc12)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: