Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM23501
Substrate
BDBM23499
Meas. Tech.
TACE Inhibition Assay
Temperature
298.15±n/a K
IC50
135±n/a nM
Comments
extracted
Citation
 Zhang, C; Lovering, F; Behnke, M; Zask, A; Sandanayaka, V; Sun, L; Zhu, Y; Xu, W; Zhang, Y; Levin, JI Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE. Bioorg Med Chem Lett 19:3445-8 (2009) [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:
BDBM23501
Synonyms:
BMCL193445 Compound 2d | beta-sulfonyl hydroxamate analogue, 5 | tert-butyl 4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H30N2O7S
Mol. Mass.:
466.548
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23499
Synonyms:
7-methoxycoumarin-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH | Wammp-5
Type:
Fluorogenic substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: