Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50197210
Substrate
n/a
Meas. Tech.
ChEMBL_440764 (CHEMBL889861)
IC50
43±n/a nM
Citation
Condon, JS; Joseph-McCarthy, D; Levin, JI; Lombart, HG; Lovering, FE; Sun, L; Wang, W; Xu, W; Zhang, Y Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg Med Chem Lett 17:34-9 (2006) [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:
BDBM50197210
Synonyms:
4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(2-morpholinoethylsulfonyl)piperidine-4-carboxamide | CHEMBL234144
Type:
Small organic molecule
Emp. Form.:
C23H33N3O8S2
Mol. Mass.:
543.653
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)CCN1CCOCC1)C(=O)NO