Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM23500 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_440764 (CHEMBL889861) |
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IC50 | 230±n/a nM |
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Citation | Condon, JS; Joseph-McCarthy, D; Levin, JI; Lombart, HG; Lovering, FE; Sun, L; Wang, W; Xu, W; Zhang, Y Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg Med Chem Lett17:34-9 (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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BDBM23500 |
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n/a |
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Name | BDBM23500 |
Synonyms: | 4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-N-hydroxy-1-(propane-2-sulfonyl)piperidine-4-carboxamide | CHEMBL209970 | beta-sulfonyl hydroxamate analogue, 4 |
Type | Small organic molecule |
Emp. Form. | C20H28N2O7S2 |
Mol. Mass. | 472.576 |
SMILES | CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO |
Structure |
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