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Target
Collagenase 3
Ligand
BDBM40461
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:
BDBM40461
Synonyms:
(4E)-4-[(2-hydroxyethylamino)methylene]-2-phenyl-isoquinoline-1,3-quinone | (4E)-4-[(2-hydroxyethylamino)methylidene]-2-phenyl-isoquinoline-1,3-dione | (4E)-4-[(2-hydroxyethylamino)methylidene]-2-phenylisoquinoline-1,3-dione | MLS000084612 | SMR000047403 | cid_5389987
Type:
Small organic molecule
Emp. Form.:
C18H16N2O3
Mol. Mass.:
308.3312
SMILES:
OCCN=Cc1c(O)n(-c2ccccc2)c(=O)c2ccccc12 |w:3.2|
Structure:
Search PDB for entries with ligand similarity: