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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50026719 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798828 (CHEMBL1943704) | ||
| IC50 | 63±n/a nM | ||
| Citation |  De Savi, C; Morley, AD; Nash, I; Karoutchi, G; Page, K; Ting, A; Gerhardt, S Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. Bioorg Med Chem Lett22:271-7 (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: |
| ||
| BDBM50026719 | |||
| n/a | |||
| Name | BDBM50026719 | ||
| Synonyms: | CHEMBL1940285 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H27N3O3 | ||
| Mol. Mass. | 477.5537 | ||
| SMILES | O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2cccc(c2)C#N)cc1 |r,wU:1.0,(8.36,2.6,;8.38,4.11,;8.35,5.64,;9.67,6.42,;11.79,5.99,;11.82,3.82,;9.7,3.38,;10.99,4.15,;10.97,5.66,;7.07,3.33,;5.73,2.57,;4.39,1.81,;3.06,2.59,;1.73,1.83,;1.71,.29,;.38,-.47,;-.95,.31,;-.94,1.84,;-2.27,2.62,;-3.61,1.86,;-3.61,.31,;-2.28,-.46,;-4.94,2.63,;-4.94,4.18,;-6.28,1.87,;-7.61,2.64,;-8.95,1.88,;-10.29,2.65,;-11.62,1.89,;-11.63,.35,;-10.29,-.43,;-8.96,.34,;-10.29,-1.99,;-10.29,-3.54,;3.05,-.48,;4.38,.28,)| | ||
| Structure | 
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