| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50162742 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305328 (CHEMBL833549) |
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| IC50 | 5±n/a nM |
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| Citation |  Zask, A; Kaplan, J; Du, X; MacEwan, G; Sandanayaka, V; Eudy, N; Levin, J; Jin, G; Xu, J; Cummons, T; Barone, D; Ayral-Kaloustian, S; Skotnicki, J Synthesis and SAR of diazepine and thiazepine TACE and MMP inhibitors. Bioorg Med Chem Lett15:1641-5 (2005) [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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| BDBM50162742 |
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| n/a |
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| Name | BDBM50162742 |
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| Synonyms: | 4-(4-But-2-ynyloxy-benzenesulfonyl)-5-hydroxycarbamoyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester | CHEMBL359502 | tert-butyl 4-(4-(but-2-ynyloxy)phenylsulfonyl)-5-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C21H29N3O7S |
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| Mol. Mass. | 467.536 |
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| SMILES | CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)OC(C)(C)C |
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| Structure | 
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