| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50131526 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_106634 (CHEMBL717018) |
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| IC50 | 27±n/a nM |
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| Citation |  Levin, JI; Chen, JM; Cheung, K; Cole, D; Crago, C; Santos, ED; Du, X; Khafizova, G; MacEwan, G; Niu, C; Salaski, EJ; Zask, A; Cummons, T; Sung, A; Xu, J; Zhang, Y; Xu, W; Ayral-Kaloustian, S; Jin, G; Cowling, R; Barone, D; Mohler, KM; Black, RA; Skotnicki, JS Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates. Bioorg Med Chem Lett13:2799-803 (2003) [PubMed] |
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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 |
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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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| BDBM50131526 |
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| n/a |
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| Name | BDBM50131526 |
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| Synonyms: | (R)-2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-hydroxy-2-(4-(2-(methylamino)ethoxy)phenyl)acetamide | (R)-2-[(4-But-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-2-[4-(2-methylamino-ethoxy)-phenyl]-acetamide | CHEMBL98061 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H27N3O6S |
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| Mol. Mass. | 461.531 |
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| SMILES | CNCCOc1ccc(cc1)[C@@H](N(C)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO |
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| Structure | 
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