Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50187794 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_377988 (CHEMBL867337) |
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IC50 | 114±n/a nM |
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Citation | Park, K; Aplasca, A; Du, MT; Sun, L; Zhu, Y; Zhang, Y; Levin, JI Design and synthesis of butynyloxyphenyl beta-sulfone piperidine hydroxamates as TACE inhibitors. Bioorg Med Chem Lett16:3927-31 (2006) [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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BDBM50187794 |
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n/a |
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Name | BDBM50187794 |
Synonyms: | 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide | CHEMBL387079 |
Type | Small organic molecule |
Emp. Form. | C23H27N3O5S |
Mol. Mass. | 457.543 |
SMILES | CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO |
Structure |
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