Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50450300 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1742465 (CHEMBL4158215) |
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IC50 | 2.5±n/a nM |
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Citation | Fuerst, R; Yong Choi, J; Knapinska, AM; Smith, L; Cameron, MD; Ruiz, C; Fields, GB; Roush, WR Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study. Bioorg Med Chem26:4984-4995 (2018) [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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BDBM50450300 |
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n/a |
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Name | BDBM50450300 |
Synonyms: | CHEMBL4172804 |
Type | Small organic molecule |
Emp. Form. | C25H27FN4O5S |
Mol. Mass. | 514.569 |
SMILES | CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)O |r| |
Structure |
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