Reaction Details |
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Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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Ligand | BDBM50515431 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1861098 (CHEMBL4361954) |
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IC50 | 198±n/a nM |
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Citation | Abdelsamie, AS; Salah, M; Siebenbürger, L; Merabet, A; Scheuer, C; Frotscher, M; Müller, ST; Zierau, O; Vollmer, G; Menger, MD; Laschke, MW; van Koppen, CJ; Marchais-Oberwinkler, S; Hartmann, RW Design, Synthesis, and Biological Characterization of Orally Active 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis. J Med Chem62:7289-7301 (2019) [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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BDBM50515431 |
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n/a |
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Name | BDBM50515431 |
Synonyms: | CHEMBL4441357 |
Type | Small organic molecule |
Emp. Form. | C24H13F3N2O4S2 |
Mol. Mass. | 514.496 |
SMILES | Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2)c1F |
Structure |
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