Reaction Details |
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Target | Macrophage metalloelastase |
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Ligand | BDBM27878 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1433223 (CHEMBL3388190) |
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IC50 | >2500±n/a nM |
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Citation | Fabre, B; Ramos, A; de Pascual-Teresa, B Targeting matrix metalloproteinases: exploring the dynamics of the s1' pocket in the design of selective, small molecule inhibitors. J Med Chem57:10205-19 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Macrophage metalloelastase |
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Name: | Macrophage metalloelastase |
Synonyms: | HME | MMP12 | MMP12_HUMAN | Matrix metalloproteinase 12 | Matrix metalloproteinase-12 (MMP 12) | Matrix metalloproteinase-12 (MMP-12) | Matrix metalloproteinase-12 (MMP12) | Matrix metalloproteinases 12 (MMP-12) |
Type: | Enzyme |
Mol. Mass.: | 54012.99 |
Organism: | Homo sapiens (Human) |
Description: | P39900 |
Residue: | 470 |
Sequence: | MKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPVTKMKYSGNLM
KEKIQEMQHFLGLKVTGQLDTSTLEMMHAPRCGVPDVHHFREMPGGPVWRKHYITYRINN
YTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGI
LAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTY
KYVDINTFRLSADDIRGIQSLYGDPKENQRLPNPDNSEPALCDPNLSFDAVTTVGNKIFF
FKDRFFWLKVSERPKTSVNLISSLWPTLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRP
EPNYPKSIHSFGFPNFVKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITK
NFQGIGPKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC
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BDBM27878 |
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n/a |
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Name | BDBM27878 |
Synonyms: | 13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide | MMP Inhibitor, 7 | hexahydrobenzothienopyrimidine, 2 |
Type | Small organic molecule |
Emp. Form. | C22H21N5O5S |
Mol. Mass. | 467.498 |
SMILES | NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 |
Structure |
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