Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50033805 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1922608 (CHEMBL4425564) |
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IC50 | 930±n/a nM |
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Citation | Wiley, MR; Durham, TB; Adams, LA; Chambers, MG; Lin, C; Liu, C; Marimuthu, J; Mitchell, PG; Mudra, DR; Swearingen, CA; Toth, JL; Weller, JM; Thirunavukkarasu, K Use of Osmotic Pumps to Establish the Pharmacokinetic-Pharmacodynamic Relationship and Define Desirable Human Performance Characteristics for Aggrecanase Inhibitors. J Med Chem59:5810-22 (2016) [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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BDBM50033805 |
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n/a |
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Name | BDBM50033805 |
Synonyms: | CHEMBL3358155 |
Type | Small organic molecule |
Emp. Form. | C16H11ClN4O4S |
Mol. Mass. | 390.801 |
SMILES | Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r| |
Structure |
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