Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50163796
Substrate
n/a
Meas. Tech.
ChEMBL_305127 (CHEMBL832423)
IC50
1.4±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:
BDBM50163796
Synonyms:
5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-2-yl-phenoxy)-phenoxy]-piperidine-2,4,6-trione | CHEMBL362284
Type:
Small organic molecule
Emp. Form.:
C24H23N3O7
Mol. Mass.:
465.4553
SMILES:
CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)C(=O)NC(=O)C(N)C1=O
Structure:
Search PDB for entries with ligand similarity: