Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50337739 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_728835 (CHEMBL1686370) |
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IC50 | >100000±n/a nM |
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Citation | De Savi, C; Pape, A; Cumming, JG; Ting, A; Smith, PD; Burrows, JN; Mills, M; Davies, C; Lamont, S; Milne, D; Cook, C; Moore, P; Sawyer, Y; Gerhardt, S The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett21:1376-81 (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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BDBM50337739 |
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n/a |
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Name | BDBM50337739 |
Synonyms: | CHEMBL1683461 | N-((2S,4S)-1-(4-(2-(4,6-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide | US10322143, Compound 8n |
Type | Small organic molecule |
Emp. Form. | C25H36FN5O4S |
Mol. Mass. | 521.648 |
SMILES | C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cnc(C)cc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| |
Structure |
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