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Target
Collagenase 3
Ligand
BDBM471847
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
>10000±n/a nM
Citation
 Labéguère, FG; Heng, R; De Ceuninck, FA; Alvey, LJ; Amantini, D; Brebion, FL; Deprez, PM; Gosmini, RL; Jary, HM; Peixoto, C; Pop-Botez, IE; Varin, ML 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis US Patent  US10829478 Publication Date 11/10/2020 
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:
BDBM471847
Synonyms:
(5R)-5-[3-[4-(4- chloro-3-ethoxy- 5-methoxy- phenyl) piperazin-1- yl]-3-oxo-propyl]- 5-methyl- imidazolidine- 2,4-dione | US10829478, Compound 79
Type:
Small organic molecule
Emp. Form.:
C20H27ClN4O5
Mol. Mass.:
438.905
SMILES:
CCOc1cc(cc(OC)c1Cl)N1CCN(CC1)C(=O)CC[C@@]1(C)NC(=O)NC1=O |r|
Structure:
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