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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50101715 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_106479 | ||
| IC50 | 21±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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| BDBM50101715 | |||
| n/a | |||
| Name | BDBM50101715 | ||
| Synonyms: | (4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid | CHEMBL61354 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H32N2O5S | ||
| Mol. Mass. | 508.629 | ||
| SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)| | ||
| Structure | 
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