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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418801 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 63.1±n/a nM | ||
| Citation |  De Savi, C; Morley, AD; Ting, A; Nash, I; Karabelas, K; Wood, CM; James, M; Norris, SJ; Karoutchi, G; Rankine, N; Hamlin, G; Macfaul, PA; Ryan, D; Baker, SV; Hargreaves, D; Gerhardt, S Selective non zinc binding inhibitors of MMP13. Bioorg Med Chem Lett21:4215-9 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Collagenase 3 | |||
| Name: | Collagenase 3 | ||
| Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 53808.06 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P45452 | ||
| Residue: | 471 | ||
| Sequence: |
| ||
| BDBM50418801 | |||
| n/a | |||
| Name | BDBM50418801 | ||
| Synonyms: | CHEMBL1796295 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H27N3O2 | ||
| Mol. Mass. | 437.5329 | ||
| SMILES | O=C(NCc1ccncc1)c1ccc(Oc2ccc(\C=C\C3=CN4CCC3CC4)cc2)cc1 |t:22,(39.46,-27.16,;40.24,-28.49,;39.47,-29.83,;37.93,-29.83,;37.15,-28.5,;37.93,-27.17,;37.15,-25.84,;35.61,-25.84,;34.85,-27.19,;35.62,-28.51,;41.78,-28.49,;42.55,-29.81,;44.08,-29.81,;44.85,-28.48,;46.39,-28.49,;47.16,-29.82,;46.39,-31.15,;47.16,-32.49,;48.7,-32.49,;49.47,-33.82,;51.01,-33.82,;51.79,-35.15,;53.32,-35.14,;54.1,-36.47,;53.33,-37.82,;51.78,-37.82,;51.01,-36.49,;52.34,-35.7,;52.74,-37.19,;49.47,-31.14,;48.7,-29.81,;44.08,-27.15,;42.54,-27.16,)| | ||
| Structure | 
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