| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Collagenase 3 |
|---|
| Ligand | BDBM50606395 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2254621 (CHEMBL5168831) |
|---|
| IC50 | 57±n/a nM |
|---|
| Citation |  Takeuchi, T; Hayashi, M; Tamita, T; Nomura, Y; Kojima, N; Mitani, A; Takeda, T; Hitaka, K; Kato, Y; Kamitani, M; Mima, M; Toki, H; Ohkubo, M; Nozoe, A; Kakinuma, H Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J Med Chem65:8493-8510 (2022) [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
|
|
|
|---|
| BDBM50606395 |
|---|
| n/a |
|---|
| Name | BDBM50606395 |
|---|
| Synonyms: | CHEMBL5207094 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C49H69N11O15 |
|---|
| Mol. Mass. | 1052.1369 |
|---|
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
