Reaction Details |
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Target | Estradiol 17-beta-dehydrogenase 1 |
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Ligand | BDBM50126972 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1524166 (CHEMBL3631251) |
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IC50 | 80±n/a nM |
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Citation | Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M Towards the evaluation in an animal disease model: Fluorinated 17ß-HSD1 inhibitors showing strong activity towards both the human and the rat enzyme. Eur J Med Chem103:56-68 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Estradiol 17-beta-dehydrogenase 1 |
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Name: | Estradiol 17-beta-dehydrogenase 1 |
Synonyms: | 17-beta-HSD 1 | 17-beta-hydroxysteroid dehydrogenase type 1 | DHB1_RAT | Edh17b1 | Estradiol 17-beta-dehydrogenase 1 | Hsd17b1 |
Type: | PROTEIN |
Mol. Mass.: | 36963.81 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_104363 |
Residue: | 344 |
Sequence: | MDSTVVLITGCSSGIGLHLAVRLASDRSQSFKVYATLRDLKSQGPLLEAARAQGCPPGSL
EILELDVRDSESVAAARACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTI
RMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVH
VSLIECGAVHTAFHEKLEGGPGGALERADAQTRHLFAHYQRGYEQALSEAQDPEEVTELF
LTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVEAMHREAFSDLQVQEGAKAGAQVS
GDPDTPPRALICLPECAIPRVTAELGWSASDKPGQNKSCYQQKI
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BDBM50126972 |
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n/a |
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Name | BDBM50126972 |
Synonyms: | CHEMBL3629586 |
Type | Small organic molecule |
Emp. Form. | C24H14F5NO5S2 |
Mol. Mass. | 555.494 |
SMILES | Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F |
Structure |
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