Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50348686 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_754464 (CHEMBL1806089) |
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IC50 | <0.100000±n/a nM |
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Citation | Becker, DP; Barta, TE; Bedell, LJ; Boehm, TL; Bond, BR; Carroll, J; Carron, CP; Decrescenzo, GA; Easton, AM; Freskos, JN; Funckes-Shippy, CL; Heron, M; Hockerman, S; Howard, CP; Kiefer, JR; Li, MH; Mathis, KJ; McDonald, JJ; Mehta, PP; Munie, GE; Sunyer, T; Swearingen, CA; Villamil, CI; Welsch, D; Williams, JM; Yu, Y; Yao, J Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease. J Med Chem53:6653-80 (2010) [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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BDBM50348686 |
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n/a |
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Name | BDBM50348686 |
Synonyms: | CHEMBL1801053 |
Type | Small organic molecule |
Emp. Form. | C19H21NO6S2 |
Mol. Mass. | 423.503 |
SMILES | CSc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1 |
Structure |
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