Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50297244 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_581466 (CHEMBL1055710) |
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IC50 | 14±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 |
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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BDBM50297244 |
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n/a |
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Name | BDBM50297244 |
Synonyms: | (S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyridin-2-yl)phenylsulfonamido)-3-methylbutanoic acid | CHEMBL559805 |
Type | Small organic molecule |
Emp. Form. | C26H22N4O6S |
Mol. Mass. | 518.541 |
SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O |r| |
Structure |
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