| Reaction Details |
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 | Report a problem with these data |
| Target | Interstitial collagenase |
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| Ligand | BDBM50229651 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_461863 (CHEMBL927856) |
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| IC50 | >5000±n/a nM |
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| Citation |  Burns, DM; He, C; Li, Y; Scherle, P; Liu, X; Marando, CA; Covington, MB; Yang, G; Pan, M; Turner, S; Fridman, JS; Hollis, G; Vaddi, K; Yeleswaram, S; Newton, R; Friedman, S; Metcalf, B; Yao, W Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations. Bioorg Med Chem Lett18:560-4 (2008) [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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| BDBM50229651 |
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| n/a |
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| Name | BDBM50229651 |
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| Synonyms: | (S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate | CHEMBL253021 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H37N5O6S |
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| Mol. Mass. | 547.667 |
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| SMILES | Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@@H]1CCCN1)C(=O)NO)C#N |
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| Structure | 
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