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Target
Collagenase 3
Ligand
BDBM50163820
Substrate
n/a
Meas. Tech.
ChEMBL_305127 (CHEMBL832423)
IC50
15±n/a nM
Citation
 Blagg, JA; Noe, MC; Wolf-Gouveia, LA; Reiter, LA; Laird, ER; Chang, SP; Danley, DE; Downs, JT; Elliott, NC; Eskra, JD; Griffiths, RJ; Hardink, JR; Haugeto, AI; Jones, CS; Liras, JL; Lopresti-Morrow, LL; Mitchell, PG; Pandit, J; Robinson, RP; Subramanyam, C; Vaughn-Bowser, ML; Yocum, SA Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14. Bioorg Med Chem Lett 15:1807-10 (2005) [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:
BDBM50163820
Synonyms:
5-Amino-3-{4-[4-(3,4-dihydro-2H-[1,2,4]triazol-3-yl)-phenoxy]-phenoxy}-3-(2-ethoxy-ethyl)-piperidine-2,4,6-trione | CHEMBL427138
Type:
Small organic molecule
Emp. Form.:
C23H25N5O6
Mol. Mass.:
467.4745
SMILES:
CCOCCC1(Oc2ccc(Oc3ccc(cc3)C3=NCNN3)cc2)C(=O)NC(=O)C(N)C1=O |t:19|
Structure:
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