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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418807 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 3162.28±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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| BDBM50418807 | |||
| n/a | |||
| Name | BDBM50418807 | ||
| Synonyms: | CHEMBL1796302 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H28N4O3 | ||
| Mol. Mass. | 468.5469 | ||
| SMILES | COC1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |(9.05,-20.64,;7.51,-20.65,;6.76,-21.99,;8.29,-21.99,;9.07,-23.31,;8.3,-24.66,;6.76,-24.66,;5.98,-23.33,;7.31,-22.54,;7.71,-24.03,;5.98,-20.66,;5.21,-19.33,;4.44,-18,;2.9,-18,;2.13,-16.66,;2.9,-15.33,;2.13,-14,;.59,-14,;-.17,-15.33,;-1.71,-15.32,;-2.48,-14,;-1.72,-12.67,;-.18,-12.66,;-4.02,-14,;-4.8,-12.67,;-4.79,-15.34,;-6.33,-15.35,;-7.1,-14.01,;-6.33,-12.68,;-7.1,-11.35,;-8.65,-11.35,;-9.41,-12.7,;-8.63,-14.03,;4.44,-15.32,;5.21,-16.65,)| | ||
| Structure | 
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