| Reaction Details |
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 | Report a problem with these data |
| Target | Interstitial collagenase |
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| Ligand | BDBM50076152 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_106114 (CHEMBL713707) |
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| IC50 | 36±n/a nM |
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| Citation |  Szardenings, AK; Antonenko, V; Campbell, DA; DeFrancisco, N; Ida, S; Shi, L; Sharkov, N; Tien, D; Wang, Y; Navre, M Identification of highly selective inhibitors of collagenase-1 from combinatorial libraries of diketopiperazines. J Med Chem42:1348-57 (1999) [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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| BDBM50076152 |
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| n/a |
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| Name | BDBM50076152 |
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| Synonyms: | 2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butylnonanamide | 2-[(3R,6S)-3-Mercaptomethyl-6-(4-nitro-benzyl)-2,5-dioxo-piperazin-1-yl]-nonanoic acid tert-butylamide | CHEMBL284422 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H38N4O5S |
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| Mol. Mass. | 506.658 |
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| SMILES | CCCCCCCC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C |
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| Structure | 
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