Reaction Details | |||
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Target | 17-beta-hydroxysteroid dehydrogenase type 1 | ||
Ligand | BDBM50179201 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_466329 (CHEMBL929276) | ||
IC50 | 52±n/a nM | ||
Citation | Frotscher, M; Ziegler, E; Marchais-Oberwinkler, S; Kruchten, P; Neugebauer, A; Fetzer, L; Scherer, C; Müller-Vieira, U; Messinger, J; Thole, H; Hartmann, RW Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. J Med Chem51:2158-69 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
17-beta-hydroxysteroid dehydrogenase type 1 | |||
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: |
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BDBM50179201 | |||
n/a | |||
Name | BDBM50179201 | ||
Synonyms: | ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 9-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)nonanoate | ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 9-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)nonanoate | 5'-O-{9-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-nonanoyl} adenosine | CHEMBL371948 | O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE | ||
Type | Small organic molecule | ||
Emp. Form. | C37H51N5O7 | ||
Mol. Mass. | 677.8301 | ||
SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| | ||
Structure |