| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50389106 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_832928 (CHEMBL2066883) |
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| IC50 | 0.09±n/a nM |
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| Citation |  Hugenberg, V; Breyholz, HJ; Riemann, B; Hermann, S; Schober, O; Schäfers, M; Gangadharmath, U; Mocharla, V; Kolb, H; Walsh, J; Zhang, W; Kopka, K; Wagner, S A new class of highly potent matrix metalloproteinase inhibitors based on triazole-substituted hydroxamates: (radio)synthesis and in vitro and first in vivo evaluation. J Med Chem55:4714-27 (2012) [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 |
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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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| BDBM50389106 |
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| n/a |
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| Name | BDBM50389106 |
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| Synonyms: | CHEMBL2064542 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H42N2O10S |
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| Mol. Mass. | 622.727 |
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| SMILES | COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r| |
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| Structure | 
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