Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50320431
Substrate
n/a
Meas. Tech.
ChEMBL_634118 (CHEMBL1119125)
IC50
40±n/a nM
Citation
 Kolodziej, SA; Hockerman, SL; DeCrescenzo, GA; McDonald, JJ; Mischke, DA; Munie, GE; Fletcher, TR; Stehle, N; Swearingen, C; Becker, DP MMP-13 selective isonipecotamide alpha-sulfone hydroxamates. Bioorg Med Chem Lett 20:3561-4 (2010) [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:
BDBM50320431
Synonyms:
CHEMBL1083607 | N-hydroxy-4-(4-(4-(4-(2-hydroxyethyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H36N4O7S
Mol. Mass.:
524.63
SMILES:
OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Structure:
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