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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50026702 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798828 (CHEMBL1943704) | ||
| IC50 | 40±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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| BDBM50026702 | |||
| n/a | |||
| Name | BDBM50026702 | ||
| Synonyms: | CHEMBL1940289 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H32N2O5 | ||
| Mol. Mass. | 512.5962 | ||
| SMILES | COc1ccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)c(OC)c1 |r,wU:23.24,(-12,-25.21,;-10.68,-25.99,;-9.34,-25.22,;-8,-25.99,;-6.67,-25.22,;-6.66,-23.68,;-5.32,-22.92,;-3.99,-23.69,;-2.65,-22.93,;-2.65,-21.39,;-1.32,-23.71,;.02,-22.94,;1.35,-23.72,;1.34,-25.26,;2.67,-26.03,;4.01,-25.27,;4.02,-23.73,;5.35,-22.97,;6.68,-23.75,;6.68,-25.28,;5.34,-26.05,;8.02,-22.99,;9.36,-22.23,;10.67,-21.45,;10.65,-22.97,;10.64,-19.92,;11.96,-19.15,;14.08,-19.57,;14.11,-21.74,;11.99,-22.19,;13.28,-21.41,;13.26,-19.91,;.01,-26.02,;-1.32,-25.25,;-8,-22.91,;-7.99,-21.37,;-6.65,-20.6,;-9.33,-23.67,)| | ||
| Structure | 
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