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Target
Collagenase 3
Ligand
BDBM50224842
Substrate
n/a
Meas. Tech.
ChEMBL_458357 (CHEMBL941691)
IC50
0.09±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:
BDBM50224842
Synonyms:
1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}-pyridin-3-yl)-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione | CHEMBL250570
Type:
Small organic molecule
Emp. Form.:
C27H20FN5O5
Mol. Mass.:
513.4766
SMILES:
Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Structure:
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