Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50259007 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_500227 (CHEMBL980694) |
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IC50 | 1.1±n/a nM |
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Citation | Hopper, DW; Vera, MD; How, D; Sabatini, J; Xiang, JS; Ipek, M; Thomason, J; Hu, Y; Feyfant, E; Wang, Q; Georgiadis, KE; Reifenberg, E; Sheldon, RT; Keohan, CC; Majumdar, MK; Morris, EA; Skotnicki, J; Sum, PE Synthesis and biological evaluation of ((4-keto)-phenoxy)methyl biphenyl-4-sulfonamides: a class of potent aggrecanase-1 inhibitors. Bioorg Med Chem Lett19:2487-91 (2009) [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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BDBM50259007 |
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n/a |
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Name | BDBM50259007 |
Synonyms: | (R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid | CHEMBL511203 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine |
Type | Small organic molecule |
Emp. Form. | C28H31NO6S |
Mol. Mass. | 509.614 |
SMILES | CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| |
Structure |
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