Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50062351 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_948652 (CHEMBL2345602) |
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IC50 | 5.2±n/a nM |
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Citation | Nuti, E; Santamaria, S; Casalini, F; Yamamoto, K; Marinelli, L; La Pietra, V; Novellino, E; Orlandini, E; Nencetti, S; Marini, AM; Salerno, S; Taliani, S; Da Settimo, F; Nagase, H; Rossello, A Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation. Eur J Med Chem62:379-94 (2013) [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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BDBM50062351 |
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n/a |
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Name | BDBM50062351 |
Synonyms: | (R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide | (R)-N*4*-Hydroxy-N*1*-[2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide | (R)-N1-((S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl)-N4-hydroxy-2-isobutylsuccinamide | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE | CHEMBL19611 | Ilomastat | US9487462, ilomastat |
Type | Small organic molecule |
Emp. Form. | C20H28N4O4 |
Mol. Mass. | 388.4607 |
SMILES | CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| |
Structure |
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