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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50101728 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_106479 | ||
| IC50 | 64±n/a nM | ||
| Citation |  Tullis, JS; Laufersweiler, MJ; VanRens, JC; Natchus, MG; Bookland, RG; Almstead, NG; Pikul, S; De, B; Hsieh, LC; Janusz, MJ; Branch, TM; Peng, SX; Jin, YY; Hudlicky, T; Oppong, K The development of new carboxylic acid-based MMP inhibitors derived from a cyclohexylglycine scaffold. Bioorg Med Chem Lett11:1975-9 (2001) [PubMed] | ||
| 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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| BDBM50101728 | |||
| n/a | |||
| Name | BDBM50101728 | ||
| Synonyms: | CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyclohexyl]-((S)-4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H27N3O7S | ||
| Mol. Mass. | 501.552 | ||
| SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)| | ||
| Structure | 
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