| Reaction Details |
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 | Report a problem with these data |
| Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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| Ligand | BDBM50311666 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_618686 (CHEMBL1102464) |
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| IC50 | 56±n/a nM |
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| Citation |  Möller, G; Deluca, D; Gege, C; Rosinus, A; Kowalik, D; Peters, O; Droescher, P; Elger, W; Adamski, J; Hillisch, A Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estrone. Bioorg Med Chem Lett19:6740-4 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 17-beta-hydroxysteroid dehydrogenase type 1 |
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| Name: | 17-beta-hydroxysteroid dehydrogenase type 1 |
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| Synonyms: | 17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 34945.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14061 |
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| Residue: | 328 |
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| Sequence: | MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
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| BDBM50311666 |
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| n/a |
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| Name | BDBM50311666 |
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| Synonyms: | (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-(phenylethynyl)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one | CHEMBL1080305 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H26O2 |
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| Mol. Mass. | 370.4834 |
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| SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#Cc3ccccc3)[C@@H]1CCC2=O |r| |
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| Structure | 
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