| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM23502 |
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| Substrate/Competitor | BDBM23499 |
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| Meas. Tech. | TACE Inhibition Assay |
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| Temperature | 298.15±n/a K |
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| IC50 | 860±n/a nM |
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| Comments | extracted |
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| Citation |  Huang, A; Joseph-McCarthy, D; Lovering, F; Sun, L; Wang, W; Xu, W; Zhu, Y; Cui, J; Zhang, Y; Levin, JI Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg Med Chem15:6170-81 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Collagenase 3 |
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| Name: | Collagenase 3 |
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| Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
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| Type: | Enzyme |
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| Mol. Mass.: | 53808.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P45452 |
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| Residue: | 471 |
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| Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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| BDBM23502 |
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| BDBM23499 |
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| Name | BDBM23502 |
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| Synonyms: | beta-sulfonyl hydroxamate analogue, 7 | tert-butyl 4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C22H31N3O6S |
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| Mol. Mass. | 465.563 |
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| SMILES | CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO |
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| Structure | 
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