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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 17-beta-hydroxysteroid dehydrogenase type 1 | ||
| Ligand | BDBM50385878 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_823605 (CHEMBL2044606) | ||
| IC50 | 1100±n/a nM | ||
| Citation |  Henn, C; Einspanier, A; Marchais-Oberwinkler, S; Frotscher, M; Hartmann, RW Lead optimization of 17ß-HSD1 inhibitors of the (hydroxyphenyl)naphthol sulfonamide type for the treatment of endometriosis. J Med Chem55:3307-18 (2012) [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: |
| ||
| BDBM50385878 | |||
| n/a | |||
| Name | BDBM50385878 | ||
| Synonyms: | CHEMBL2040856 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H21NO4S | ||
| Mol. Mass. | 491.557 | ||
| SMILES | Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1 |(4.01,8.19,;4.01,6.65,;5.34,5.88,;5.34,4.34,;4,3.57,;2.67,4.34,;2.67,5.88,;1.33,3.57,;1.33,2.03,;-0,1.27,;-1.34,2.04,;-2.67,1.27,;-4,2.04,;-5.34,1.27,;-4,3.58,;-2.67,4.35,;-1.33,3.58,;0,4.35,;-2.67,-.27,;-4.01,-1.04,;-4.01,-2.58,;-2.68,-3.35,;-1.34,-2.58,;.12,-3.06,;1.03,-1.82,;.13,-.57,;-1.34,-1.04,;.6,-4.53,;1.93,-3.76,;1.93,-5.3,;-.49,-5.61,;-1.98,-5.22,;-3.07,-6.3,;-2.67,-7.79,;-1.18,-8.19,;-.09,-7.1,)| | ||
| Structure | 
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