Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50356942 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_787974 (CHEMBL1918908) |
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IC50 | 0.400000±n/a nM |
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Citation | Wilson, LJ; Wang, B; Yang, SM; Scannevin, RH; Burke, SL; Karnachi, P; Rhodes, KJ; Murray, WV Discovery of novel Cobactin-T based matrix metalloproteinase inhibitors via a ring closing metathesis strategy. Bioorg Med Chem Lett21:6485-90 (2011) [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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BDBM50356942 |
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n/a |
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Name | BDBM50356942 |
Synonyms: | CHEMBL1916050 |
Type | Small organic molecule |
Emp. Form. | C18H17ClN2O5S |
Mol. Mass. | 408.856 |
SMILES | ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3| |
Structure |
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