BDBM50627728 CHEMBL5395340

SMILES COc1ccc(cc1C(N)=O)C#CCN(C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12)C(C)=O

InChI Key InChIKey=KCSHJBQBKQGMNZ-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 2 hits for monomerid = 50627728   

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627728BDBM50627728(CHEMBL5395340)
Affinity DataKi:  1.10E+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 University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627728BDBM50627728(CHEMBL5395340)
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