Literature summary for 2.1.1.28 extracted from

Grunewald, G.L.; Caldwell, T.M.; Li, Q.; Slavica, M.; Criscione, K.R.; Borchardt, R.T.; Wang, W.
Synthesis and biochemical evaluation of 3-fluoromethyl-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor (1999), J. Med. Chem., 42, 3588-3601.

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Inhibitors

Inhibitors	Comment	Organism	Structure
3-fluoromethyl-7-(N-benzylaminosulfonyl)-1,2,3,4-tetrahydrosioquinoline	-	Bos taurus
3-fluoromethyl-7-(N-methylaminosulfonyl)-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-aminosulfonyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-azido-1,2,3,4-tetrahydrosioquinoline	-	Bos taurus
3-fluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-cyano-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-iodo-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
3-fluoromethyl-7-[N-(4-chlorophenyl)aminosulfonyl]-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus

Organism

Organism	UniProt	Comment	Textmining
Bos taurus	-	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
adrenal gland	-	Bos taurus	-

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.00021	-	3-fluoromethyl-7-iodo-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.00032	-	3-fluoromethyl-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.00057	-	3-fluoromethyl-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.00064	-	3-fluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.00066	-	3-fluoromethyl-7-aminosulfonyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.00074	-	3-fluoromethyl-7-[N-(4-chlorophenyl)aminosulfonyl]-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.0011	-	3-fluoromethyl-7-cyano-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.0016	-	3-fluoromethyl-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.0017	-	3-fluoromethyl-7-azido-1,2,3,4-tetrahydrosioquinoline	-	Bos taurus
0.0024	-	3-fluoromethyl-7-(N-methylaminosulfonyl)-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus
0.0065	-	3-fluoromethyl-7-(N-benzylaminosulfonyl)-1,2,3,4-tetrahydrosioquinoline	-	Bos taurus
0.54	-	3-fluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline	-	Bos taurus

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Release 2023.1 (January 2023)