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Assay Detail

CHEMBL4306964

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation pre-incubated for 10 mins followed by AdoMet and nicotinamide addition measured after 30 mins by UHP-HILIC/Q-TOF-MS analysis
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Nicotinamide N-methyltransferase (CHEMBL2346486)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT) with Enhanced Activity.
Gao Y, van Haren MJ, Moret EE, Rood JJM, Sartini D, Salvucci A, Emanuelli M, Craveur P, Babault N, Jin J, Martin NI.
J Med Chem (2019) 62 : 6597 -6614
PubMed 31265285 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 4.86 5.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4454921 1 5.85
CHEMBL4067973 1 5.36
CHEMBL1214186 SINEFUNGIN 2.0 1 4.90
CHEMBL4520769 1 4.83
CHEMBL4470754 1 4.76
CHEMBL4218848 1 4.70
CHEMBL4474988 1 4.63
CHEMBL418052 S-ADENOSYLHOMOCYSTEINE 1 4.45
CHEMBL4576615 1 4.28
CHEMBL4569298 1 -
CHEMBL4461098 1 -
CHEMBL4553512 1 -
CHEMBL4521509 1 -
CHEMBL4539356 1 -
CHEMBL4438136 1 -
CHEMBL4572944 1 -
CHEMBL4472868 1 -
CHEMBL4439579 1 -
CHEMBL4471461 1 -
CHEMBL4514305 1 -
CHEMBL4579657 1 -
CHEMBL4572555 1 -
CHEMBL4455850 1 -
CHEMBL4444296 1 -
CHEMBL4469899 1 -
CHEMBL4575365 1 -
CHEMBL4459756 1 -
CHEMBL4475755 1 -
CHEMBL4554572 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4454921 IC50 = 1410.0 nM 5.85
CHEMBL4067973 IC50 = 4360.0 nM 5.36
CHEMBL1214186 SINEFUNGIN IC50 = 12510.0 nM 4.90
CHEMBL4520769 IC50 = 14900.0 nM 4.83
CHEMBL4470754 IC50 = 17450.0 nM 4.76
CHEMBL4218848 IC50 = 19810.0 nM 4.70
CHEMBL4474988 IC50 = 23410.0 nM 4.63
CHEMBL418052 S-ADENOSYLHOMOCYSTEINE IC50 = 35300.0 nM 4.45
CHEMBL4576615 IC50 = 52620.0 nM 4.28
CHEMBL4569298 IC50 > 250000.0 nM -
CHEMBL4461098 IC50 > 250000.0 nM -
CHEMBL4553512 IC50 > 250000.0 nM -
CHEMBL4521509 IC50 > 250000.0 nM -
CHEMBL4539356 IC50 > 250000.0 nM -
CHEMBL4438136 IC50 > 250000.0 nM -
CHEMBL4572944 IC50 > 250000.0 nM -
CHEMBL4472868 IC50 > 250000.0 nM -
CHEMBL4439579 IC50 > 250000.0 nM -
CHEMBL4471461 IC50 > 250000.0 nM -
CHEMBL4514305 IC50 > 250000.0 nM -
CHEMBL4579657 IC50 > 250000.0 nM -
CHEMBL4572555 IC50 > 250000.0 nM -
CHEMBL4455850 IC50 > 250000.0 nM -
CHEMBL4444296 IC50 = 111500.0 nM -
CHEMBL4469899 IC50 > 250000.0 nM -
CHEMBL4575365 IC50 > 250000.0 nM -
CHEMBL4459756 IC50 > 250000.0 nM -
CHEMBL4475755 IC50 = 129900.0 nM -
CHEMBL4554572 IC50 > 250000.0 nM -