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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50026716 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798828 (CHEMBL1943704) | ||
| IC50 | 1585±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: |
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| BDBM50026716 | |||
| n/a | |||
| Name | BDBM50026716 | ||
| Synonyms: | CHEMBL1940301 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H26N2O3 | ||
| Mol. Mass. | 390.4748 | ||
| SMILES | CN(C)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:18.19,(-10.62,-20.03,;-9.3,-20.81,;-9.31,-22.35,;-7.96,-20.04,;-7.95,-18.5,;-6.62,-20.82,;-5.28,-20.06,;-3.95,-20.83,;-3.97,-22.37,;-2.63,-23.15,;-1.29,-22.39,;-1.28,-20.84,;.05,-20.08,;1.38,-20.87,;1.38,-22.4,;.04,-23.17,;2.72,-20.11,;4.06,-19.35,;5.37,-18.56,;5.36,-20.08,;5.35,-17.03,;6.67,-16.26,;8.79,-16.68,;8.82,-18.86,;6.7,-19.3,;7.99,-18.52,;7.97,-17.02,;-5.3,-23.14,;-6.63,-22.37,)| | ||
| Structure | 
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