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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418805 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 316.23±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: |
| ||
| BDBM50418805 | |||
| n/a | |||
| Name | BDBM50418805 | ||
| Synonyms: | CHEMBL1796297 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H27N3O3 | ||
| Mol. Mass. | 453.5323 | ||
| SMILES | O[C@@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |r,wU:1.10,wD:1.0,(30.35,-41.84,;29.6,-43.18,;31.13,-43.17,;31.91,-44.5,;31.14,-45.84,;29.6,-45.84,;28.83,-44.51,;30.15,-43.73,;30.55,-45.21,;28.83,-41.84,;28.05,-40.52,;27.28,-39.18,;25.74,-39.18,;24.97,-37.85,;25.75,-36.52,;24.98,-35.18,;23.43,-35.18,;22.67,-36.51,;21.13,-36.51,;20.36,-35.18,;21.12,-33.85,;22.67,-33.85,;18.82,-35.19,;18.05,-33.86,;18.05,-36.53,;16.51,-36.53,;15.74,-35.2,;16.51,-33.86,;15.74,-32.53,;14.19,-32.54,;13.43,-33.88,;14.21,-35.21,;27.28,-36.51,;28.05,-37.84,)| | ||
| Structure | 
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