BDBM50502439 CHEMBL4520769

SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cccc(c1)C(N)=O)C(O)=O

InChI Key InChIKey=MEMKBIDVNKYNQW-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 Kd

  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 6 hits for monomerid = 50502439   

TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataKd:  3.60E+4nMAssay Description:Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataIC50: 1.49E+4nMAssay Description:Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataIC50: 2.92E+4nMAssay Description:Inhibition of recombinant NNMT (unknown origin) assessed as reduction in MNA concentration incubated for 10 mins by UHP-HILIC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataIC50: 2.92E+4nMAssay Description:Inhibition of recombinant human NNMT assessed as formation of MNA using nicotinamide and AdoMet as substrate preincubated for 10 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataKi:  6.17E+3nMAssay Description:Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50502439(CHEMBL4520769)
Affinity DataKi:  6.17E+3nMAssay Description:Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed