| Reaction Details |
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 | Report a problem with these data |
| Target | Interstitial collagenase |
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| Ligand | BDBM50337731 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_728835 (CHEMBL1686370) |
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| IC50 | 9700±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 |
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| Synonyms: | CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 54010.26 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03956 |
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| Residue: | 469 |
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| Sequence: | MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
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| BDBM50337731 |
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| n/a |
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| Name | BDBM50337731 |
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| Synonyms: | CHEMBL1683453 | N-((2S,4S)-1-(4-(4-fluoro-2-(trifluoromethyl)phenethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide | US10322143, Compound 8e |
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| Type | Small organic molecule |
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| Emp. Form. | C25H31F5N4O4S |
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| Mol. Mass. | 578.595 |
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| SMILES | C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 |r| |
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| Structure | 
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