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Target
Collagenase 3
Ligand
BDBM50156722
Substrate
n/a
Meas. Tech.
ChEMBL_429672 (CHEMBL919966)
IC50
40±n/a nM
Citation
 Venkatesan, AM; Davis, JM; Grosu, GT; Baker, J; Zask, A; Levin, JI; Ellingboe, J; Skotnicki, JS; Dijoseph, JF; Sung, A; Jin, G; Xu, W; McCarthy, DJ; Barone, D Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-alpha converting enzyme and matrix metalloproteinase inhibitors. J Med Chem 47:6255-69 (2004) [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:
BDBM50156722
Synonyms:
4-(4-but-2-ynyloxybenzenesulfonyl)-1-(4-methoxybenzyl)piperdine-4-carboxylic acid hydroxyamide | CHEMBL222714
Type:
Small organic molecule
Emp. Form.:
C24H28N2O6S
Mol. Mass.:
472.554
SMILES:
COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCC#CC)cc2)cc1
Structure:
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