| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50297239 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_581466 (CHEMBL1055710) |
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| IC50 | 3.7±n/a nM |
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| Citation |  Li, W; Hu, Y; Li, J; Thomason, JR; DeVincentis, D; Du, X; Wu, J; Hotchandani, R; Rush, TS; Skotnicki, JS; Tam, S; Chockalingam, PS; Morris, EA; Levin, JI 3,4-Disubstituted benzofuran P1' MMP-13 inhibitors: optimization of selectivity and reduction of protein binding. Bioorg Med Chem Lett19:4546-50 (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 |
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| Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
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| Type: | Enzyme |
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| Mol. Mass.: | 53808.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P45452 |
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| Residue: | 471 |
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| Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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| BDBM50297239 |
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| n/a |
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| Name | BDBM50297239 |
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| Synonyms: | (S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid | CHEMBL556645 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H25N3O6S |
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| Mol. Mass. | 531.58 |
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| SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| |
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| Structure | 
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