Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50102594 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_106613 (CHEMBL717450) |
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Ki | 0.45±n/a nM |
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Citation | Xue, CB; Voss, ME; Nelson, DJ; Duan, JJ; Cherney, RJ; Jacobson, IC; He, X; Roderick, J; Chen, L; Corbett, RL; Wang, L; Meyer, DT; Kennedy, K; DeGradodagger, WF; Hardman, KD; Teleha, CA; Jaffee, BD; Liu, RQ; Copeland, RA; Covington, MB; Christ, DD; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem44:2636-60 (2001) [PubMed] |
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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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BDBM50102594 |
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n/a |
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Name | BDBM50102594 |
Synonyms: | 7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 6-hydroxyamide 10-methylcarbamoylmethyl-amide(SL422) | CHEMBL88520 |
Type | Small organic molecule |
Emp. Form. | C23H34N4O6 |
Mol. Mass. | 462.5393 |
SMILES | CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |
Structure |
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