BDBM50627710 CHEMBL5411538

SMILES NC(=O)c1cccc(c1)C#CCN(C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12)C(=O)CC1CCCCC1

InChI Key InChIKey=XDWOMSRATGFYHP-UHFFFAOYSA-N

Data  1 KI  1 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 3 hits for monomerid = 50627710   

TargetNicotinamide N-methyltransferase(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM50627710(CHEMBL5411538 | US20250017936, Compound 5e)
Affinity DataIC50: 7.50E+3nMAssay 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
LigandPNGBDBM50627710(CHEMBL5411538 | US20250017936, Compound 5e)
Affinity DataKi:  2.20E+4nMAssay 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
LigandPNGBDBM50627710(CHEMBL5411538 | US20250017936, Compound 5e)
Affinity DataIC50: 2.40E+4nMAssay 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