| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM40478 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_518658 (CHEMBL963566) |
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| IC50 | 4300±n/a nM |
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| Citation |  Lauer-Fields, JL; Minond, D; Chase, PS; Baillargeon, PE; Saldanha, SA; Stawikowska, R; Hodder, P; Fields, GB High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Bioorg Med Chem17:990-1005 (2009) [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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| BDBM40478 |
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| n/a |
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| Name | BDBM40478 |
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| Synonyms: | 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one | 2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one | 6-methyl-2-(p-anisylthio)-1H-pyrimidin-4-one | CHEMBL500351 | MLS000109390 | SMR000105333 | cid_716696 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H14N2O2S |
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| Mol. Mass. | 262.327 |
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| SMILES | COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1 |
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| Structure | 
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