Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50128669
Substrate
n/a
Meas. Tech.
ChEMBL_429672 (CHEMBL919966)
IC50
2±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
More Info.:
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:
BDBM50128669
Synonyms:
1-(4-Bromo-benzyl)-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide | 1-(4-bromobenzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide | 4-(4-but-2-ynyloxyphenylsulfanyl)piperidine-4-carboxylic acid hydroxyamide | CHEMBL78255
Type:
Small organic molecule
Emp. Form.:
C20H23BrN2O5S
Mol. Mass.:
483.376
SMILES:
COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Br)cc2)CC1)C(=O)NO