Literature summary for 2.1.1.1 extracted from

Gao, Y.; van Haren, M.J.; Moret, E.E.; Rood, J.J.M.; Sartini, D.; Salvucci, A.; Emanuelli, M.; Craveur, P.; Babault, N.; Jin, J.; Martin, N.I.
Bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT) with enhanced activity (2019), J. Med. Chem., 62, 6597-6614 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
5'-([(3S)-3-amino-3-carboxypropyl][[3-(methoxycarbonyl)phenyl]methyl]amino)-5'-deoxyadenosine	-	Homo sapiens
5'-deoxy-5'-[[(3S)-3,4-diamino-4-oxobutyl][(naphthalen-2-yl)methyl]amino]adenosine	inhibitor demonstrates a dose-dependent inhibitory effect on the cell proliferation of the HSC-2 human oral cancer cell line	Homo sapiens
5'-deoxy-5'-[[(naphthalen-2-yl)methyl](propan-2-yl)amino]adenosine	-	Homo sapiens
5'-[(4-amino-4-oxobutyl)[(naphthalen-2-yl)methyl]amino]-5'-deoxyadenosine	-	Homo sapiens
5'-[(5-amino-5-oxopentyl)[(naphthalen-2-yl)methyl]amino]-5'-deoxyadenosine	-	Homo sapiens
5'-[[(3S)-3-amino-3-carboxypropyl][(3-carboxyphenyl)methyl]amino]-5'-deoxyadenosine	-	Homo sapiens
sinefungin	-	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P40261	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0014	-	pH 8.4, 37°C	Homo sapiens	5'-deoxy-5'-[[(3S)-3,4-diamino-4-oxobutyl][(naphthalen-2-yl)methyl]amino]adenosine
0.0125	-	pH 8.4, 37°C	Homo sapiens	sinefungin
0.0139	-	pH 8.4, 37°C	Homo sapiens	5'-deoxy-5'-[[(naphthalen-2-yl)methyl](propan-2-yl)amino]adenosine
0.0175	-	pH 8.4, 37°C	Homo sapiens	5'-([(3S)-3-amino-3-carboxypropyl][[3-(methoxycarbonyl)phenyl]methyl]amino)-5'-deoxyadenosine
0.0234	-	pH 8.4, 37°C	Homo sapiens	5'-[[(3S)-3-amino-3-carboxypropyl][(3-carboxyphenyl)methyl]amino]-5'-deoxyadenosine
0.0526	-	pH 8.4, 37°C	Homo sapiens	5'-[(5-amino-5-oxopentyl)[(naphthalen-2-yl)methyl]amino]-5'-deoxyadenosine
0.1115	-	pH 8.4, 37°C	Homo sapiens	5'-[(4-amino-4-oxobutyl)[(naphthalen-2-yl)methyl]amino]-5'-deoxyadenosine

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Release 2023.1 (January 2023)