Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50345504 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_751104 (CHEMBL1787041) |
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IC50 | >10000±n/a nM |
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Citation | De Savi, C; Pape, A; Sawyer, Y; Milne, D; Davies, C; Cumming, JG; Ting, A; Lamont, S; Smith, PD; Tart, J; Page, K; Moore, P Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis. Bioorg Med Chem Lett21:3301-6 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Interstitial collagenase |
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Name: | Interstitial collagenase |
Synonyms: | CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1) |
Type: | Enzyme |
Mol. Mass.: | 54010.26 |
Organism: | Homo sapiens (Human) |
Description: | P03956 |
Residue: | 469 |
Sequence: | MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
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BDBM50345504 |
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n/a |
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Name | BDBM50345504 |
Synonyms: | CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(methylsulfonyl)phenethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide | US10322143, Compound 13c |
Type | Small organic molecule |
Emp. Form. | C22H34N2O7S2 |
Mol. Mass. | 502.645 |
SMILES | Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O |
Structure |
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