BDBM50627730 CHEMBL5399278::US20250017936, Compound 5u

SMILES CC(=O)N(CC#Cc1cccc(c1)C(N)=O)C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(ncnc12)C(F)(F)F

InChI Key InChIKey=HQULITUBXZXDKX-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50627730   

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627730(CHEMBL5399278 | US20250017936, Compound 5u)
Affinity DataIC50: 420nMAssay Description:Inhibition of full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells using nicotinamide as substrate preincubated for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627730(CHEMBL5399278 | US20250017936, Compound 5u)
Affinity DataIC50: 25nMAssay Description: As the sensitivity of the FAP assay is limited by the binding affinity of the probe for NNMT, the inhibitory concentration was further determined us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
Go to US Patent

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627730(CHEMBL5399278 | US20250017936, Compound 5u)
Affinity DataKi:  70nMAssay Description:The inhibitory constants (Ki) of the synthesized inhibitors were first determined using a fluorescence polarization (FP)-based competition assay with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
Go to US Patent

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627730(CHEMBL5399278 | US20250017936, Compound 5u)
Affinity DataKi:  190nMAssay Description:Binding affinity to full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant preincubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed