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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50101718 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_106479 | ||
| IC50 | 22±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: |
| ||
| BDBM50101718 | |||
| n/a | |||
| Name | BDBM50101718 | ||
| Synonyms: | ((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-methoxy-ethoxycarbonyl)-methyl-amino]-cyclohexyl}-acetic acid | CHEMBL60567 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H34N2O8S | ||
| Mol. Mass. | 534.622 | ||
| SMILES | COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)| | ||
| Structure | 
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