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Target
Collagenase 3
Ligand
BDBM50194282
Substrate
n/a
Meas. Tech.
ChEMBL_424283 (CHEMBL908435)
IC50
1±n/a nM
Citation
 Reiter, LA; Freeman-Cook, KD; Jones, CS; Martinelli, GJ; Antipas, AS; Berliner, MA; Datta, K; Downs, JT; Eskra, JD; Forman, MD; Greer, EM; Guzman, R; Hardink, JR; Janat, F; Keene, NF; Laird, ER; Liras, JL; Lopresti-Morrow, LL; Mitchell, PG; Pandit, J; Robertson, D; Sperger, D; Vaughn-Bowser, ML; Waller, DM; Yocum, SA Potent, selective pyrimidinetrione-based inhibitors of MMP-13. Bioorg Med Chem Lett 16:5822-6 (2006) [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:
BDBM50194282
Synonyms:
5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)phenoxy)phenoxy)pyrimidine-2,4,6(1H,3H,5H)-trione | CHEMBL221497
Type:
Small organic molecule
Emp. Form.:
C27H23N5O7
Mol. Mass.:
529.5008
SMILES:
CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O
Structure:
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