Reaction Details |
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Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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Ligand | BDBM50360234 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1619744 (CHEMBL3861913) |
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IC50 | 19650±n/a nM |
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Citation | Braun, F; Bertoletti, N; Möller, G; Adamski, J; Steinmetzer, T; Salah, M; Abdelsamie, AS; van Koppen, CJ; Heine, A; Klebe, G; Marchais-Oberwinkler, S First Structure-Activity Relationship of 17ß-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J Med Chem59:10719-10737 (2016) [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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BDBM50360234 |
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n/a |
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Name | BDBM50360234 |
Synonyms: | CHEMBL1928188 |
Type | Small organic molecule |
Emp. Form. | C19H15NO3 |
Mol. Mass. | 305.3273 |
SMILES | Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1cccc(O)c1 |
Structure |
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