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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Macrophage metalloelastase | ||
| Ligand | BDBM50333937 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_700258 (CHEMBL1647476) | ||
| IC50 | 140±n/a nM | ||
| Citation |  Badland, M; Compère, D; Courté, K; Dublanchet, AC; Blais, S; Manage, A; Peron, G; Wrigglesworth, R Thiophene and bioisostere derivatives as new MMP12 inhibitors. Bioorg Med Chem Lett21:528-30 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Macrophage metalloelastase | |||
| 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: |
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| BDBM50333937 | |||
| n/a | |||
| Name | BDBM50333937 | ||
| Synonyms: | CHEMBL1644426 | trans-4-((5-fluoro-4-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamido)methyl)cyclohexanecarboxylic acid | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H19F4NO4S | ||
| Mol. Mass. | 445.428 | ||
| SMILES | OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(c(F)s2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(34.59,-15.9,;33.25,-15.15,;33.23,-13.61,;31.92,-15.94,;31.94,-17.48,;30.62,-18.26,;29.28,-17.5,;27.96,-18.29,;26.62,-17.54,;25.29,-18.33,;25.32,-19.87,;23.95,-17.58,;23.46,-16.12,;21.92,-16.14,;21.46,-17.61,;19.99,-18.09,;22.71,-18.5,;21.12,-14.82,;21.87,-13.47,;21.07,-12.16,;19.53,-12.19,;18.73,-10.87,;17.19,-10.91,;16.39,-9.59,;16.45,-12.26,;15.66,-10.75,;18.79,-13.55,;19.59,-14.86,;29.25,-15.97,;30.58,-15.18,)| | ||
| Structure | 
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