Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50295499 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_579100 (CHEMBL1062302) |
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IC50 | 23±n/a nM |
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Citation | Li, W; Li, J; Wu, Y; Rancati, F; Vallese, S; Raveglia, L; Wu, J; Hotchandani, R; Fuller, N; Cunningham, K; Morgan, P; Fish, S; Krykbaev, R; Xu, X; Tam, S; Goldman, SJ; Abraham, W; Williams, C; Sypek, J; Mansour, TS Identification of an orally efficacious matrix metalloprotease 12 inhibitor for potential treatment of asthma. J Med Chem52:5408-19 (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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BDBM50295499 |
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n/a |
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Name | BDBM50295499 |
Synonyms: | (S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d]thiophene-3-sulfonamido)-3-methylbutanoic Acid | CHEMBL563407 |
Type | Small organic molecule |
Emp. Form. | C22H22N2O6S2 |
Mol. Mass. | 474.55 |
SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCC#C)ccc21)C(O)=O |r| |
Structure |
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