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Target
Collagenase 3
Ligand
BDBM50162738
Substrate
n/a
Meas. Tech.
ChEMBL_305328 (CHEMBL833549)
IC50
4±n/a nM
Citation
 Zask, A; Kaplan, J; Du, X; MacEwan, G; Sandanayaka, V; Eudy, N; Levin, J; Jin, G; Xu, J; Cummons, T; Barone, D; Ayral-Kaloustian, S; Skotnicki, J Synthesis and SAR of diazepine and thiazepine TACE and MMP inhibitors. Bioorg Med Chem Lett 15:1641-5 (2005) [PubMed]  Article 
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:
BDBM50162738
Synonyms:
1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]diazepane-5-carboxylic acid hydroxyamide | 1-benzoyl-4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1,4-diazepane-5-carboxamide | CHEMBL369302
Type:
Small organic molecule
Emp. Form.:
C23H25N3O6S
Mol. Mass.:
471.526
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)c1ccccc1
Structure:
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