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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50101736 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_106479 | ||
| IC50 | 37±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: |
| ||
| BDBM50101736 | |||
| n/a | |||
| Name | BDBM50101736 | ||
| Synonyms: | (R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-oxo-pyrrolidin-1-yl)-cyclohexyl]-acetic acid | CHEMBL62021 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H30N2O6S | ||
| Mol. Mass. | 486.581 | ||
| SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N1CCCC1=O)C(O)=O |wU:19.26,wD:18.19,22.27,(22.1,2.89,;20.76,3.64,;19.44,2.87,;18.08,3.64,;16.76,2.87,;16.77,1.32,;18.11,.56,;19.44,1.32,;15.45,.56,;14.11,1.32,;12.79,.53,;12.79,-1.01,;14.11,-1.75,;15.45,-1.01,;11.45,-1.75,;12.52,-2.86,;10.34,-2.86,;10.11,-1.01,;8.78,-1.75,;8.78,-3.32,;10.11,-4.06,;10.11,-5.6,;8.75,-6.37,;7.43,-5.6,;7.43,-4.06,;8.78,-7.9,;10.01,-8.83,;9.53,-10.29,;7.99,-10.29,;7.52,-8.83,;6.07,-8.33,;7.44,-1.01,;6.09,-1.75,;7.43,.53,)| | ||
| Structure | 
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