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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50026715 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798828 (CHEMBL1943704) | ||
| IC50 | 20±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: |
| ||
| BDBM50026715 | |||
| n/a | |||
| Name | BDBM50026715 | ||
| Synonyms: | CHEMBL1940279 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H29N3O3 | ||
| Mol. Mass. | 503.591 | ||
| SMILES | O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccnc3ccccc23)cc1 |r,wU:1.0,(8.82,-21.38,;8.83,-19.86,;8.81,-18.33,;10.12,-17.55,;12.25,-17.98,;12.28,-20.16,;10.15,-20.6,;11.45,-19.82,;11.43,-18.32,;7.52,-20.64,;6.18,-21.41,;4.84,-22.17,;3.51,-21.38,;2.17,-22.14,;2.16,-23.69,;.82,-24.45,;-.51,-23.67,;-.5,-22.13,;-1.83,-21.35,;-3.17,-22.12,;-3.17,-23.67,;-1.84,-24.44,;-4.5,-21.34,;-4.5,-19.8,;-5.84,-22.11,;-7.18,-21.33,;-8.52,-22.1,;-8.52,-23.64,;-9.85,-24.41,;-11.2,-23.63,;-11.19,-22.09,;-12.52,-21.33,;-12.52,-19.8,;-11.19,-19.02,;-9.86,-19.79,;-9.86,-21.32,;3.5,-24.46,;4.84,-23.7,)| | ||
| Structure | 
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