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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50418803 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754229 (CHEMBL1798873) | ||
| IC50 | 125.89±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: |
| ||
| BDBM50418803 | |||
| n/a | |||
| Name | BDBM50418803 | ||
| Synonyms: | CHEMBL1796296 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H27N3O3 | ||
| Mol. Mass. | 453.5323 | ||
| SMILES | OC1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |(2.31,-40.59,;1.55,-41.94,;3.09,-41.93,;3.86,-43.26,;3.09,-44.6,;1.55,-44.6,;.78,-43.27,;2.1,-42.49,;2.5,-43.97,;.78,-40.6,;.01,-39.27,;-.77,-37.94,;-2.31,-37.94,;-3.08,-36.6,;-2.31,-35.27,;-3.08,-33.93,;-4.62,-33.93,;-5.39,-35.26,;-6.93,-35.26,;-7.69,-33.94,;-6.93,-32.61,;-5.39,-32.6,;-9.24,-33.94,;-10.01,-32.61,;-10,-35.28,;-11.56,-35.28,;-12.33,-33.95,;-11.56,-32.62,;-12.33,-31.28,;-13.87,-31.29,;-14.64,-32.63,;-13.87,-33.96,;-.77,-35.26,;0,-36.59,)| | ||
| Structure | 
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