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Target
Collagenase 3
Ligand
BDBM50194279
Substrate
n/a
Meas. Tech.
ChEMBL_424298 (CHEMBL910078)
IC50
7200±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:
Collagenase 3 | MMP-13 | MMP13_RAT | Matrix metalloproteinase 13 | Matrix metalloproteinase-13 | Mmp13 | UMRCASE
Type:
PROTEIN
Mol. Mass.:
53359.23
Organism:
Rattus norvegicus
Description:
ChEMBL_424298
Residue:
466
Sequence:
ATFFLLSWTHCWSLPLPYGDDDDDDLSEEDLEFAEHYLKSYYHPVTLAGILKKSTVTSTVDRLREMQSFFGLDVTGKLDDPTLDIMRKPRCGVPDVGVYNVFPRTLKWSQTNLTYRIVNYTPDISHSEVEKAFRKAFKVWSDVTPLNFTRIHDGTADIMISFGTKEHGDFYPFDGPSGLLAHAFPPGPNLGGDAHFDDDETWTSSSKGYNLFIVAAHELGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPEKCDPALSLDAITSLRGETMIFKDRFFWRLHPQQVEPELFLTKSFWPELPNHVDAAYEHPSRDLMFIFRGRKFWALNGYDIMEGYPRKISDLGFPKEVKRLSAAVHFEDTGKTLFFSGNHVWSYDDANQTMDKDYPRLIEEEFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPTNSLLWC
  
Inhibitor
Name:
BDBM50194279
Synonyms:
4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahydropyrimidin-5-yloxy)phenoxy)phenyl)oxazol-4-yl)benzonitrile | 4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxohexahydropyrimidin-5-yloxy)phenoxy)phenyl)oxazol-4-yl)benzonitrile | CHEMBL222077
Type:
Small organic molecule
Emp. Form.:
C29H22N4O7
Mol. Mass.:
538.5076
SMILES:
COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
Structure:
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