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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Interstitial collagenase | ||
| Ligand | BDBM50073903 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_105960 | ||
| IC50 | 110±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: |
| ||
| BDBM50073903 | |||
| n/a | |||
| Name | BDBM50073903 | ||
| Synonyms: | 1-Mercaptomethyl-4-methoxy-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL294088 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H28N2O3S | ||
| Mol. Mass. | 364.502 | ||
| SMILES | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)OC |wU:15.15,4.12,20.24,wD:15.16,(3.19,-.33,;3.19,-1.87,;1.86,-2.64,;1.86,-4.18,;.52,-1.87,;.52,-.33,;1.28,1.02,;2.82,1.03,;3.57,2.37,;2.77,3.71,;1.23,3.68,;.49,2.33,;-.8,-2.64,;-2.14,-1.87,;-2.14,-.33,;-3.49,-2.64,;-4.81,-1.87,;-4.81,-.33,;-4.8,-3.41,;-4.8,-4.95,;-3.49,-5.72,;-2.14,-4.95,;-2.14,-3.41,;-3.49,-7.26,;-4.81,-8.02,)| | ||
| Structure | 
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