Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50224852
Substrate
n/a
Meas. Tech.
ChEMBL_458357 (CHEMBL941691)
IC50
0.1±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
More Info.:
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:
BDBM50224852
Synonyms:
1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3-yl}-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione | CHEMBL248941
Type:
Small organic molecule
Emp. Form.:
C25H19ClN6O4
Mol. Mass.:
502.909
SMILES:
Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1