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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Interstitial collagenase | ||
| Ligand | BDBM50073905 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_105960 | ||
| IC50 | 2153±n/a nM | ||
| Citation |  Fink, CA; Carlson, JE; Boehm, C; McTaggart, P; Qiao, Y; Doughty, J; Ganu, V; Melton, R; Goldberg, R Design and synthesis of thiol containing inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett9:195-200 (1999) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Interstitial collagenase | |||
| Name: | Interstitial collagenase | ||
| Synonyms: | CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 54010.26 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P03956 | ||
| Residue: | 469 | ||
| Sequence: |
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| BDBM50073905 | |||
| n/a | |||
| Name | BDBM50073905 | ||
| Synonyms: | 4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-1-(4-fluoro-phenylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL417383 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H31FN2O3S | ||
| Mol. Mass. | 458.589 | ||
| SMILES | CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-5.83,-12,;-5.83,-10.44,;-4.51,-9.7,;-4.51,-8.16,;-5.83,-7.39,;-5.83,-5.85,;-4.51,-5.08,;-5.83,-4.31,;-5.83,-2.77,;-3.16,-5.85,;-3.16,-7.39,;-3.16,-4.31,;-3.16,-2.77,;-1.82,-5.08,;-.5,-4.31,;-.5,-2.77,;.27,-1.42,;1.81,-1.41,;2.54,-.06,;1.74,1.27,;.2,1.24,;-.53,-.11,;.84,-5.08,;.84,-6.62,;2.16,-4.31,;3.51,-5.08,;3.47,-6.62,;4.82,-7.39,;6.14,-6.62,;7.48,-7.41,;6.17,-5.08,;4.82,-4.3,)| | ||
| Structure | 
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