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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Macrophage metalloelastase | ||
| Ligand | BDBM50170212 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_306214 (CHEMBL831123) | ||
| IC50 | 400±n/a nM | ||
| Citation |  Dublanchet, AC; Ducrot, P; Andrianjara, C; O'Gara, M; Morales, R; Compère, D; Denis, A; Blais, S; Cluzeau, P; Courté, K; Hamon, J; Moreau, F; Prunet, ML; Tertre, A Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors. Bioorg Med Chem Lett15:3787-90 (2005) [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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| BDBM50170212 | |||
| n/a | |||
| Name | BDBM50170212 | ||
| Synonyms: | CHEMBL181817 | [4-(4-Trifluoromethoxy-phenyl)-thiophene-2-carbonyl]-carbamic acid 4-methyl-cyclohexyl ester | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H20F3NO4S | ||
| Mol. Mass. | 427.437 | ||
| SMILES | CC1CCC(CC1)OC(=O)NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1 |(-6.29,2.13,;-4.9,1.48,;-4.77,-.05,;-3.37,-.73,;-2.11,.16,;-2.24,1.7,;-3.62,2.36,;-.7,-.5,;.56,.37,;.43,1.92,;1.97,-.28,;2.11,-1.83,;.84,-2.72,;3.52,-2.49,;4.87,-1.76,;6,-2.8,;5.34,-4.18,;3.8,-3.98,;7.52,-2.58,;8.08,-1.15,;9.6,-.91,;10.56,-2.11,;12.09,-1.86,;13.06,-3.05,;13.95,-4.15,;12.73,-4.65,;14.67,-3.07,;10.01,-3.54,;8.48,-3.78,)| | ||
| Structure | 
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