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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Squalene--hopene cyclase | ||
| Ligand | BDBM50128049 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_201950 (CHEMBL809137) | ||
| IC50 | 123±n/a nM | ||
| Citation |  Lenhart, A; Reinert, DJ; Aebi, JD; Dehmlow, H; Morand, OH; Schulz, GE Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase. J Med Chem46:2083-92 (2003) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Squalene--hopene cyclase | |||
| Name: | Squalene--hopene cyclase | ||
| Synonyms: | SQHC_ALIAD | Squalene--hopene cyclase | Squalene-hopene cyclase | shc | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 71559.28 | ||
| Organism: | Alicyclobacillus acidocaldarius | ||
| Description: | ChEMBL_201951 | ||
| Residue: | 631 | ||
| Sequence: |
| ||
| BDBM50128049 | |||
| n/a | |||
| Name | BDBM50128049 | ||
| Synonyms: | CHEMBL291640 | Methyl-{4-[4-(1-oxy-piperidin-1-ylmethyl)-phenyl]-cyclohexyl}-carbamic acid 4-chloro-phenyl ester | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H33ClN2O3 | ||
| Mol. Mass. | 457.005 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)c1ccc(C[N+]2([O-])CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.79,.97,;5.79,-.57,;4.45,-1.34,;4.45,-2.88,;3.12,-3.65,;1.78,-2.88,;1.78,-1.34,;3.12,-.57,;.44,-3.65,;-.88,-2.86,;-2.22,-3.63,;-2.24,-5.17,;-3.57,-5.94,;-4.9,-5.16,;-4.91,-6.71,;-4.9,-3.63,;-6.22,-2.86,;-7.56,-3.61,;-7.56,-5.16,;-6.23,-5.94,;-.88,-5.94,;.45,-5.17,;7.13,-1.34,;7.13,-2.88,;8.47,-.57,;9.8,-1.34,;11.13,-.57,;12.46,-1.34,;12.46,-2.88,;13.81,-3.65,;11.13,-3.65,;9.8,-2.88,)| | ||
| Structure | 
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