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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | ||
| Ligand | BDBM50170650 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_303691 (CHEMBL829736) | ||
| Ki | 4±n/a nM | ||
| Citation |  Laggner, C; Schieferer, C; Fiechtner, B; Poles, G; Hoffmann, RD; Glossmann, H; Langer, T; Moebius, FF Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. J Med Chem48:4754-64 (2005) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | |||
| Name: | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | ||
| Synonyms: | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Anti-estrogen binding site (AEBS) | Cholestenol Delta-isomerase | D8-D7 sterol isomerase | Delta(8)-Delta(7) sterol isomerase | EBP | EBP_HUMAN | Emopamil-binding protein | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 26358.51 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_873432 | ||
| Residue: | 230 | ||
| Sequence: |
| ||
| BDBM50170650 | |||
| n/a | |||
| Name | BDBM50170650 | ||
| Synonyms: | (2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-ethyl)-(2-chloro-phenyl)-amine | CHEMBL361085 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H28Cl2N2 | ||
| Mol. Mass. | 391.377 | ||
| SMILES | Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)| | ||
| Structure | 
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