Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50126624
Substrate
n/a
Meas. Tech.
ChEBML_106642
IC50
1±n/a nM
Citation
Zask, A; Gu, Y; Albright, JD; Du, X; Hogan, M; Levin, JI; Chen, JM; Killar, LM; Sung, A; DiJoseph, JF; Sharr, MA; Roth, CE; Skala, S; Jin, G; Cowling, R; Mohler, KM; Barone, D; Black, R; March, C; Skotnicki, JS Synthesis and SAR of bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors. Bioorg Med Chem Lett 13:1487-90 (2003) [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:
BDBM50126624
Synonyms:
8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-quinoline-3-carboxylic acid hydroxyamide | 8-bromo-N-hydroxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide | CHEMBL38352
Type:
Small organic molecule
Emp. Form.:
C23H19BrN4O5S
Mol. Mass.:
543.39
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO