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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418804 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 251.19±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: |
| ||
| BDBM50418804 | |||
| n/a | |||
| Name | BDBM50418804 | ||
| Synonyms: | CHEMBL1796301 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H28N4O3 | ||
| Mol. Mass. | 456.5362 | ||
| SMILES | OC1(CN2CCC1CC2)\C=C\c1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |(46.73,-2.15,;45.97,-3.49,;47.5,-3.49,;48.28,-4.82,;47.51,-6.16,;45.96,-6.16,;45.19,-4.83,;46.52,-4.04,;46.92,-5.53,;45.2,-2.15,;43.67,-2.17,;42.89,-.84,;41.35,-.84,;40.58,.5,;41.36,1.83,;40.59,3.16,;39.05,3.16,;38.28,1.83,;36.74,1.83,;35.97,3.16,;36.73,4.49,;38.28,4.49,;34.43,3.15,;33.66,4.49,;33.66,1.82,;32.12,1.81,;31.35,3.14,;32.12,4.48,;31.35,5.81,;29.81,5.81,;29.04,4.46,;29.82,3.13,;42.89,1.83,;43.67,.5,)| | ||
| Structure | 
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