| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Collagenase 3 |
|---|
| Ligand | BDBM50142439 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1552458 (CHEMBL3761709) |
|---|
| Ki | 17±n/a nM |
|---|
| Citation |  Ruminski, PG; Massa, M; Strohbach, J; Hanau, CE; Schmidt, M; Scholten, JA; Fletcher, TR; Hamper, BC; Carroll, JN; Shieh, HS; Caspers, N; Collins, B; Grapperhaus, M; Palmquist, KE; Collins, J; Baldus, JE; Hitchcock, J; Kleine, HP; Rogers, MD; McDonald, J; Munie, GE; Messing, DM; Portolan, S; Whiteley, LO; Sunyer, T; Schnute, ME Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. J Med Chem59:313-27 (2016) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Collagenase 3 |
|---|
| 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: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
|
|
|
|---|
| BDBM50142439 |
|---|
| n/a |
|---|
| Name | BDBM50142439 |
|---|
| Synonyms: | CHEMBL3759916 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H29N7O3 |
|---|
| Mol. Mass. | 463.5322 |
|---|
| SMILES | COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCN(CC3)C(C)=O)n2)c1 |
|---|
| Structure | 
|
|---|
Search and Browse
