Reaction Details |
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Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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Ligand | BDBM50232175 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1646098 (CHEMBL3995154) |
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IC50 | 2.1±n/a nM |
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Citation | Abdelsamie, AS; van Koppen, CJ; Bey, E; Salah, M; Börger, C; Siebenbürger, L; Laschke, MW; Menger, MD; Frotscher, M Treatment of estrogen-dependent diseases: Design, synthesis and profiling of a selective 17ß-HSD1 inhibitor with sub-nanomolar IC Eur J Med Chem127:944-957 (2017) [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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BDBM50232175 |
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n/a |
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Name | BDBM50232175 |
Synonyms: | CHEMBL4060257 |
Type | Small organic molecule |
Emp. Form. | C24H21ClF2N2O4S |
Mol. Mass. | 506.949 |
SMILES | CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1 |
Structure |
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