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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418825 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 2511.89±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: |
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| BDBM50418825 | |||
| n/a | |||
| Name | BDBM50418825 | ||
| Synonyms: | CHEMBL1796300 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H30N4O3 | ||
| Mol. Mass. | 458.5521 | ||
| SMILES | OC1(CCc2ccc(Oc3ccc(cc3)C(=O)NCc3ccncn3)cc2)CN2CCC1CC2 |(30.38,-.34,;29.62,-1.68,;28.85,-.34,;27.32,-.35,;26.55,.97,;25,.98,;24.23,2.31,;25.01,3.64,;24.24,4.98,;22.7,4.98,;21.93,3.65,;20.39,3.65,;19.62,4.97,;20.38,6.3,;21.93,6.31,;18.08,4.97,;17.31,6.3,;17.32,3.63,;15.77,3.63,;15,4.96,;15.77,6.29,;15,7.64,;13.46,7.62,;12.69,6.27,;13.47,4.95,;26.54,3.65,;27.32,2.32,;31.16,-1.67,;31.93,-3,;31.16,-4.35,;29.62,-4.35,;28.85,-3.01,;30.17,-2.23,;30.57,-3.72,)| | ||
| Structure | 
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