| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Collagenase 3 |
|---|
| Ligand | BDBM50238241 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1663589 (CHEMBL4013270) |
|---|
| IC50 | 320±n/a nM |
|---|
| Citation |  Durham, TB; Marimuthu, J; Toth, JL; Liu, C; Adams, L; Mudra, DR; Swearingen, C; Lin, C; Chambers, MG; Thirunavukkarasu, K; Wiley, MR A Highly Selective Hydantoin Inhibitor of Aggrecanase-1 and Aggrecanase-2 with a Low Projected Human Dose. J Med Chem60:5933-5939 (2017) [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
|
|
|
|---|
| BDBM50238241 |
|---|
| n/a |
|---|
| Name | BDBM50238241 |
|---|
| Synonyms: | CHEMBL4102193 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H18F3N3O3 |
|---|
| Mol. Mass. | 369.3383 |
|---|
| SMILES | FC(F)(F)c1ccc(CCC(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
