Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50173229 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_321194 (CHEMBL882118) |
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IC50 | 3±n/a nM |
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Citation | Li, J; Rush, TS; Li, W; DeVincentis, D; Du, X; Hu, Y; Thomason, JR; Xiang, JS; Skotnicki, JS; Tam, S; Cunningham, KM; Chockalingam, PS; Morris, EA; Levin, JI Synthesis and SAR of highly selective MMP-13 inhibitors. Bioorg Med Chem Lett15:4961-6 (2005) [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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BDBM50173229 |
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n/a |
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Name | BDBM50173229 |
Synonyms: | (S)-2-{4'-[(5-Cyano-4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid | CHEMBL365947 |
Type | Small organic molecule |
Emp. Form. | C29H27N3O7S |
Mol. Mass. | 561.606 |
SMILES | COc1c(ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12)C#N |
Structure |
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