Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM39445
Substrate
n/a
Meas. Tech.
Dose response biochemical assay for autofluorescent inhibitors of Matrix Metalloproteinase 13 (MMP13) activity
IC50
>39840±n/a nM
Citation
 PubChem, PC Dose response biochemical assay for autofluorescent 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:
BDBM39445
Synonyms:
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester | 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]acetic acid ethyl ester | MLS000036921 | SMR000041248 | cid_660388 | ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanylethanoate | ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
Type:
Small organic molecule
Emp. Form.:
C17H14N2O4S
Mol. Mass.:
342.369
SMILES:
CCOC(=O)CSc1nc(ccc1C#N)-c1ccc2OCOc2c1
Structure:
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