Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50076153 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_106114 (CHEMBL713707) |
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IC50 | 21±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 |
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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BDBM50076153 |
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n/a |
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Name | BDBM50076153 |
Synonyms: | 2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-(4-methoxyphenyl)acetamide | CHEMBL27408 | N-tert-Butyl-2-[(3R,6S)-3-mercaptomethyl-6-(4-nitro-benzyl)-2,5-dioxo-piperazin-1-yl]-2-(4-methoxy-phenyl)-acetamide |
Type | Small organic molecule |
Emp. Form. | C25H30N4O6S |
Mol. Mass. | 514.594 |
SMILES | COc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C |
Structure |
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