Reaction Details |
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Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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Ligand | BDBM50311679 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_618686 (CHEMBL1102464) |
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IC50 | 15±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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 34945.13 |
Organism: | Homo sapiens (Human) |
Description: | P14061 |
Residue: | 328 |
Sequence: | MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
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BDBM50311679 |
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n/a |
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Name | BDBM50311679 |
Synonyms: | (4bR,10bS,12aS)-8-hydroxy-12a-methyl-9-phenethyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one | CHEMBL1080107 |
Type | Small organic molecule |
Emp. Form. | C27H32O2 |
Mol. Mass. | 388.5418 |
SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCc5ccccc5)cc34)[C@@H]1CCCC2=O |r| |
Structure |
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