Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50224846
Substrate
n/a
Meas. Tech.
ChEMBL_458357 (CHEMBL941691)
IC50
0.05±n/a nM
Citation
 Freeman-Cook, KD; Reiter, LA; Noe, MC; Antipas, AS; Danley, DE; Datta, K; Downs, JT; Eisenbeis, S; Eskra, JD; Garmene, DJ; Greer, EM; Griffiths, RJ; Guzman, R; Hardink, JR; Janat, F; Jones, CS; Martinelli, GJ; Mitchell, PG; Laird, ER; Liras, JL; Lopresti-Morrow, LL; Pandit, J; Reilly, UD; Robertson, D; Vaughn-Bowser, ML; Wolf-Gouviea, LA; Yocum, SA Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13. Bioorg Med Chem Lett 17:6529-34 (2007) [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:
BDBM50224846
Synonyms:
4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]dec-1-yl)-pyridin-2-yloxy]-phenyl}-oxazol-4-yl)-benzonitrile | CHEMBL250776
Type:
Small organic molecule
Emp. Form.:
C28H20N6O5
Mol. Mass.:
520.4956
SMILES:
O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1
Structure:
Search PDB for entries with ligand similarity: