Inhibitors | Comment | Organism | Structure |
---|---|---|---|
3-([(16beta,17beta)-3-(2-bromoethyl)-17-hydroxyestra-1(10),2,4-trien-16-yl]methyl)benzamide | a potent and steroidal nonestrogenic inhibitor of 17beta-HSD1, inhibits the transformation of estrone into estradiol by 17beta-HSD1 in T-47D cells. The comppound does not inhibit enzymes 17beta-HSD2, 17beta-HSD7, 17beta-HSD12, and CYP3A4, and does not stimulate the proliferation of estrogen-sensitive MCF-7 cells. Kinetic and molecular modeling (docking) experiments show that compound is a competitive and irreversible inhibitor of 17beta-HSD1 | Homo sapiens | |
additional information | design of a series of estradiol-derivatives from potent inhibitor 16beta-(m-carbamoylbenzyl)-E2 to eliminate estrogenic activity, evaluation as 17beta-HSD1 inhibitors, and their proliferative (estrogenic) activity on estrogen-sensitive cells, structure-activity relationship study, overview | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
17beta-estradiol + NAD(P)+ | Homo sapiens | - |
estrone + NAD(P)H + H+ | - |
r |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
breast cancer cell | - |
Homo sapiens | - |
T-47D cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
17beta-estradiol + NAD(P)+ | - |
Homo sapiens | estrone + NAD(P)H + H+ | - |
r |
Synonyms | Comment | Organism |
---|---|---|
17beta-HSD1 | - |
Homo sapiens |
17beta-hydroxysteroid dehydrogenase type 1 | - |
Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NAD+ | - |
Homo sapiens | |
NADH | - |
Homo sapiens | |
NADP+ | - |
Homo sapiens | |
NADPH | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000083 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-([(16beta,17beta)-3-(2-bromoethyl)-17-hydroxyestra-1(10),2,4-trien-16-yl]methyl)benzamide |
General Information | Comment | Organism |
---|---|---|
physiological function | the enzyme is thought to play a pivotal role in the progression of estrogen-sensitive breast cancer by transforming estrone into estradiol | Homo sapiens |