Literature summary for 1.1.1.21 extracted from

Schuster, D.; Kowalik, D.; Kirchmair, J.; Laggner, C.; Markt, P.; Aebischer-Gumy, C.; Stroehle, F.; Moeller, G.; Wolber, G.; Wilckens, T.; Langer, T.; Odermatt, A.; Adamski, J.
Identification of chemically diverse, novel inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening (2011), J. Steroid Biochem. Mol. Biol., 125, 148-161.

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Cloned(Commentary)

Cloned (Comment)	Organism
expression in MCF-7 and HEK-293 cell	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
1-butyl-2-[[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl]-1H-benzimidazole-5-sulfonamide	classical competitive mechanism. No significant influence on 11beta-HSD activities	Homo sapiens
2-[(4-fluorobenzyl)[(2-fluorophenyl)sulfonyl]amino]-N-[2-(3-fluorophenyl)ethyl]acetamide	-	Homo sapiens
methyl 3-methyl-2-([2-nitro-4-(trifluoromethyl)phenyl]amino)butanoate	-	Homo sapiens
N-tert-butyl-2-(2-chloro-6-methoxy-4-([(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl)phenoxy)acetamide	-	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P42330	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
8-acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one + NADPH + H+	fluorogenic synthetic substrate	Homo sapiens	? + NADP+	-	?

Synonyms

Synonyms	Comment	Organism
17betaHSD5	-	Homo sapiens
AKR1C3	-	Homo sapiens
aldoketo reductase 1C3	-	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
NADPH	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00029	-	pH 6.6, temperature not specified in the publication	Homo sapiens	1-butyl-2-[[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl]-1H-benzimidazole-5-sulfonamide
0.001	-	pH 6.6, temperature not specified in the publication	Homo sapiens	N-tert-butyl-2-(2-chloro-6-methoxy-4-([(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl)phenoxy)acetamide
0.0012	-	pH 6.6, temperature not specified in the publication	Homo sapiens	2-[(4-fluorobenzyl)[(2-fluorophenyl)sulfonyl]amino]-N-[2-(3-fluorophenyl)ethyl]acetamide
0.00126	-	pH 6.6, temperature not specified in the publication	Homo sapiens	methyl 3-methyl-2-([2-nitro-4-(trifluoromethyl)phenyl]amino)butanoate

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Release 2023.1 (January 2023)