| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Collagenase 3 |
|---|
| Ligand | BDBM50104975 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_106614 (CHEMBL717451) |
|---|
| Ki | 653±n/a nM |
|---|
| Citation |  Xue, CB; He, X; Corbett, RL; Roderick, J; Wasserman, ZR; Liu, RQ; Jaffee, BD; Covington, MB; Qian, M; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Discovery of macrocyclic hydroxamic acids containing biphenylmethyl derivatives at P1', a series of selective TNF-alpha converting enzyme inhibitors with potent cellular activity in the inhibition of TNF-alpha release. J Med Chem44:3351-4 (2001) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50104975 |
|---|
| n/a |
|---|
| Name | BDBM50104975 |
|---|
| Synonyms: | (8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide] | (8S,11R,12S)-N12-hydroxy-N8-(2-morpholino-2-oxoethyl)-2,10-dioxo-11-((2'-(trifluoromethyl)biphenyl-4-yl)methyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide | 2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide] | CHEMBL325163 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C34H42F3N5O8 |
|---|
| Mol. Mass. | 705.7212 |
|---|
| SMILES | ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
