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Target
Collagenase 3
Ligand
BDBM40471
Substrate
n/a
Meas. Tech.
Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity
IC50
16520±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:
BDBM40471
Synonyms:
2-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]-N-[2-(3-phenoxyphenoxy)ethyl]acetamide | 2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-[2-(3-phenoxyphenoxy)ethyl]ethanamide | 2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-[2-(3-phenoxyphenoxy)ethyl]acetamide | 2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]-N-[2-(3-phenoxyphenoxy)ethyl]acetamide | 2-{[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thio}-N-[2-(3-phenoxyphenoxy)ethyl]acetamide | CHEMBL462627 | MLS000049833 | SMR000077977 | cid_2216430
Type:
Small organic molecule
Emp. Form.:
C19H20N4O4S
Mol. Mass.:
400.451
SMILES:
O=C(CSCc1n[nH]c(=O)[nH]1)NCCOc1cccc(Oc2ccccc2)c1
Structure:
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