Reaction Details |
| Report a problem with these data |
Target | Collagenase 3 |
---|
Ligand | BDBM50361618 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_799144 (CHEMBL1942128) |
---|
IC50 | 1±n/a nM |
---|
Citation | Taylor, SJ; Abeywardane, A; Liang, S; Muegge, I; Padyana, AK; Xiong, Z; Hill-Drzewi, M; Farmer, B; Li, X; Collins, B; Li, JX; Heim-Riether, A; Proudfoot, J; Zhang, Q; Goldberg, D; Zuvela-Jelaska, L; Zaher, H; Li, J; Farrow, NA Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J Med Chem54:8174-87 (2011) [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
|
|
|
BDBM50361618 |
---|
n/a |
---|
Name | BDBM50361618 |
Synonyms: | CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid |
Type | Small organic molecule |
Emp. Form. | C24H22N4O5 |
Mol. Mass. | 446.4553 |
SMILES | CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O |
Structure |
|