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Literature summary for 1.1.1.62 extracted from

  • Allan, G.M.; Vicker, N.; Lawrence, H.R.; Tutill, H.J.; Day, J.M.; Huchet, M.; Ferrandis, E.; Reed, M.J.; Purohit, A.; Potter, B.V.
    Novel inhibitors of 17beta-hydroxysteroid dehydrogenase type 1: templates for design (2008), Bioorg. Med. Chem., 16, 4438-4456.
    View publication on PubMed

Application

Application Comment Organism
medicine inhibitors of the enzyme have potential as treatments for hormone dependent breast cancer Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1-(3'-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone 37°C, 0.01 mM, 51% inhibition, substrate: estradiol-17beta, 7beta-HSD type 2 Homo sapiens
1-(3'-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone 37°C, 0.01 mM, 73% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
1-(3'-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone 73% inhibition at 0.001 mM Homo sapiens
1-(3-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone 37°C, 0.01 mM, 71% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
1-(3-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone 71% inhibition at 0.001 mM Homo sapiens
1-(4'-hydroxy-2'-methyl-biphenyl-4-yl)-ethanone 89% inhibition at 0.001 mM Homo sapiens
1-(4'-hydroxy-2'_methyl-biphenyl-4-yl)-ethanone 37°C, 0.01 mM, 89% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
1-(4'-hydroxy-biphenyl-4-yl)-ethanone 37°C, 01 mM, 97% inhibition, substrate: estrone, 7beta-HSD type 1; 97% inhibition at 0.001 mM Homo sapiens
1-(6-hydroxy-9H-fluoren-2-yl)-ethanone 37°C, 0.01 mM, 86% inhibition, substrate: estrone, 7beta-HSD type 1; 86% inhibition at 0.001 mM Homo sapiens
2-[(16beta)-2-ethyl-3-hydroxy-17-oxoestra-1(10),2,4-trien-16-yl]-N-(pyridin-3-ylmethyl)acetamide
-
Homo sapiens
2-[5-(3-ethyl-4-hydroxyphenyl)-1-oxo-indan-2-yl]-N-pyridin-3-ylmethyl-acetamide 37°C, 0.001 mM, 39% inhibition, substrate: estrone, 7beta-HSD type 1; 39% inhibition at 0.001 mM Homo sapiens
4-(3'-ethyl-4'-hydroxy-3-methyl-biphenyl)-4-oxo-N-pyridin-3-ylethyl-butyramide 15% inhibition at 0.001 mM Homo sapiens
4-(3'-ethyl-4'-hydroxy-3-methyl-biphenyl)-4-oxo-N-pyridin-3-ylmethyl-butyramide 21% inhibition at 0.001 mM; 37°C, 0.001 mM, 21% inhibition, substrate: estrone,7beta-HSD type 1 Homo sapiens
4-(3'-ethyl-4'-hydroxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylethyl-butyramide 15% inhibition at 0.001 mM; 37°C, 0.001 mM, 15% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
4-(3'-ethyl-4'-hydroxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylmethyl-butyramide 38% inhibition at 0.001 mM Homo sapiens
4-(3'-ethyl-4'-hydroxy-biphenyl)-4-oxo-N-(2-hydroxyethyl)-butyramide 23% inhibition at 0.001 mM; 37°C, 0.001 mM, 23% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
4-(3'-ethyl-4'-hydroxy-biphenyl)-4-oxo-N-pyridin-3-ylethyl-butyramide 17% inhibition at 0.001 mM; 37°C, 0.001 mM, 17% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
4-(3'-ethyl-4'-hydroxy-biphenyl)-4-oxo-N-pyridin-3-ylmethyl-butyramide 24% inhibition at 0.001 mM; 37°C, 0.001 mM, 24% inhibition, substrate: estrone, 7beta-HSD type 1; 37°C, 0.01 mM, 12% inhibition, substrate: estradiol-17beta, 7beta-HSD type 2 Homo sapiens
4-(3'-ethyl-4'-methoxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylmethyl-butyramide 17% inhibition at 0.001 mM; 37°C, 0.001 mM, 17% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
4-(3-ethyl-4-hydroxy-3-methyl-biphenyl)-4-oxo-N-pyridin-3-ylethyl-butyramide 37°C, 0.001 mM, 15% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
4-(3-ethyl-4-hydroxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylmethyl-butyramide 37°C, 0.001 mM, 38% inhibition, substrate: estrone, 7beta-HSD type 1 Homo sapiens
5-(3-ethyl-4-hydroxyphenyl)-indan-1-one 37°C, 0.01 mM, 48% inhibition, substrate: estradiol-17beta, 7beta-HSD type 2; 37°C, 0.01 mM, 86% inhibition, substrate: estrone, 7beta-HSD type 1; 86% inhibition at 0.001 mM Homo sapiens
5-(3-fluoro-4-hydroxyphenyl)-indan-1-one 37°C, 0.01 mM, 24% inhibition, substrate: estradiol-17beta, 7beta-HSD type 2; 37°C, 0.01 mM, 75% inhibition, substrate: estrone, 7beta-HSD type 1; 75% inhibition at 0.001 mM Homo sapiens
5-(3-fluoro-4-methoxyphenyl)-indan-1-one 37°C, 0.01 mM, 56% inhibition, substrate: estrone, 7beta-HSD type 1; 56% inhibition at 0.001 mM Homo sapiens
5-(4-hydroxyphenyl)-indan-1-one 37°C, 0.01 mM, 17% inhibition, substrate: estradiol-17beta, 7beta-HSD type 2; 37°C, 0.01 mM, 81% inhibition, substrate: estrone, 7beta-HSD type 1; 81% inhibition at 0.001 mM Homo sapiens
6-(3-ethyl-4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one 37°C, 0.01 mM, 51% inhibition, substrate: estrone, 7beta-HSD type 1; 51% inhibition at 0.001 mM Homo sapiens
6-(3-ethyl-4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one 37°C, 0.01 mM, 71% inhibition, substrate: estrone, 7beta-HSD type 1; 71% inhibition at 0.001 mM Homo sapiens
6-(4-hydroxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one 37°C, 0.01 mM, 89% inhibition, substrate: estrone, 7beta-HSD type 1; 89% inhibition at 0.001 mM Homo sapiens
additional information not inhibited by 1-(4'-methoxy-biphenyl-4-yl)-ethanone, 1-(4-benzo[1,3]dioxol-5-yl-phenyl)-ethanone, 1-(3'-ethyl-4'-methoxy-biphenyl-4-yl)-ethanone, 1-(4'-methoxy-2'-methyl-biphenyl-4-yl)-ethanone, 1-(4'-methoxy-2-methyl-biphenyl-4-yl)-ethanone, 1-(4'-hydroxy-2-methyl-biphenyl-4-yl)-ethanone, 1-(7-methoxy-9H-fluoren-2-yl)-ethanone, 5-(4-methoxyphenyl)-indan-1-one, 5-(3-ethyl-4-methoxyphenyl)-indan-1-one, 2,3-dihydro-5-phenylinden-1-one, 6-(4-methoxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one, 4-(3'-ethyl-4'-hydroxy-biphenyl)-4-oxo-N-pyridin-2-ylmethyl-butyramide, 2-[5-(3-ethyl-4-hydroxyphenyl)-1-oxo-indan-2-yl]-N-pyridin-2-ylmethyl-acetamide, and 2-[5-(3-ethyl-4-hydroxyphenyl)-1-oxo-indan-2-yl]-N-(5-methyl-pyrazin-2-ylmethyl)-acetamide Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Homo sapiens P14061
-
-

Source Tissue

Source Tissue Comment Organism Textmining
breast cancer cell
-
Homo sapiens
-
T-47 cell breast cancer cell, 7beta-HSD type 1 Homo sapiens
-
T-47D cell
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
estradiol-17beta + NAD(P)+ 7beta-HSD type 2 Homo sapiens estrone + NAD(P)H + H+
-
?
estradiol-17beta + NADP+
-
Homo sapiens estrone + NADPH + H+
-
?
estrone + NAD(P)H + H+ 7beta-HSD type 1 Homo sapiens estradiol-17beta + NAD(P)+
-
?

Synonyms

Synonyms Comment Organism
17beta-HSD type 2
-
Homo sapiens
17beta-HSD1
-
Homo sapiens
17beta-hydroxysteroid dehydrogenase type 1
-
Homo sapiens
17beta-hydroxysteroid dehydrogenase type 2
-
Homo sapiens
7beta-HSD type 1
-
Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NADPH preferentially reductive activity using NADPH as cofactor Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0017
-
-
Homo sapiens 5-(4-hydroxyphenyl)-indan-1-one
0.0018
-
-
Homo sapiens 4-(3-ethyl-4-hydroxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylmethyl-butyramide
0.0018
-
-
Homo sapiens 4-(3'-ethyl-4'-hydroxy-biphenyl)-2,2-dimethyl-4-oxo-N-pyridin-3-ylmethyl-butyramide
0.002
-
-
Homo sapiens 5-(3-ethyl-4-hydroxyphenyl)-indan-1-one
0.0029
-
-
Homo sapiens 5-(3-fluoro-4-hydroxyphenyl)-indan-1-one
0.0037
-
-
Homo sapiens 1-(4'-hydroxy-biphenyl-4-yl)-ethanone
0.0037
-
-
Homo sapiens 4-(3'-ethyl-4'-hydroxy-biphenyl)-4-oxo-N-pyridin-3-ylmethyl-butyramide
0.0037
-
-
Homo sapiens 1-(4'-hydroxy-2'_methyl-biphenyl-4-yl)-ethanone
0.0037
-
-
Homo sapiens 1-(4'-hydroxy-2'-methyl-biphenyl-4-yl)-ethanone
0.0047
-
-
Homo sapiens 2-[5-(3-ethyl-4-hydroxyphenyl)-1-oxo-indan-2-yl]-N-pyridin-3-ylmethyl-acetamide
0.0048
-
-
Homo sapiens 1-(6-hydroxy-9H-fluoren-2-yl)-ethanone
0.0054
-
-
Homo sapiens 1-(3'-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone
0.0083
-
-
Homo sapiens 6-(3-ethyl-4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
0.0099
-
-
Homo sapiens 1-(3-ethyl-4'-hydroxy-biphenyl-4-yl)-ethanone
0.0156
-
-
Homo sapiens 6-(4-hydroxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one