Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50233891 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1651669 (CHEMBL4000924) |
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IC50 | 4.9±n/a nM |
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Citation | Nara, H; Kaieda, A; Sato, K; Naito, T; Mototani, H; Oki, H; Yamamoto, Y; Kuno, H; Santou, T; Kanzaki, N; Terauchi, J; Uchikawa, O; Kori, M Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach. J Med Chem60:608-626 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Collagenase 3 |
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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
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BDBM50233891 |
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n/a |
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Name | BDBM50233891 |
Synonyms: | CHEMBL4074167 |
Type | Small organic molecule |
Emp. Form. | C20H19N7O3S |
Mol. Mass. | 437.475 |
SMILES | Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(CNC(=O)Cc2nc[nH]n2)c1 |
Structure |
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