Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50343054 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_744872 (CHEMBL1772893) |
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IC50 | 0.660000±n/a nM |
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Citation | Fobian, YM; Freskos, JN; Barta, TE; Bedell, LJ; Heintz, R; Kassab, DJ; Kiefer, JR; Mischke, BV; Molyneaux, JM; Mullins, P; Munie, GE; Becker, DP MMP-13 selective alpha-sulfone hydroxamates: identification of selective P1' amides. Bioorg Med Chem Lett21:2823-5 (2011) [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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BDBM50343054 |
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n/a |
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Name | BDBM50343054 |
Synonyms: | CHEMBL1770702 | N-hydroxy-4-(4-(3-(4-(trifluoromethoxy)benzamido)propoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide |
Type | Small organic molecule |
Emp. Form. | C23H25F3N2O8S |
Mol. Mass. | 546.513 |
SMILES | ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 |
Structure |
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