BDBM50627708 CHEMBL5424430

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

InChI Key InChIKey=VTHKWORYTIOVLB-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50627708   

TargetNicotinamide N-methyltransferase(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM50627708(CHEMBL5424430 | US20250017936, Compound 5c)
Affinity DataIC50: 110nMAssay 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
US Patent

TargetNicotinamide N-methyltransferase(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM50627708(CHEMBL5424430 | US20250017936, Compound 5c)
Affinity DataKi:  170nMAssay 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
US Patent

TargetNicotinamide N-methyltransferase(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM50627708(CHEMBL5424430 | US20250017936, Compound 5c)
Affinity DataKi:  1.40E+3nMAssay 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
TargetNicotinamide N-methyltransferase(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM50627708(CHEMBL5424430 | US20250017936, Compound 5c)
Affinity DataIC50: 7.20E+3nMAssay 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