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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Collagenase 3 | ||
| Ligand | BDBM50101717 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_106479 | ||
| IC50 | 17±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: |
| ||
| BDBM50101717 | |||
| n/a | |||
| Name | BDBM50101717 | ||
| Synonyms: | ((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-methoxy-ethoxycarbonylamino)-cyclohexyl]-acetic acid | CHEMBL59104 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H32N2O8S | ||
| Mol. Mass. | 520.595 | ||
| SMILES | COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)| | ||
| Structure | 
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