BDBM50247635 CHEMBL4100002

SMILES N[C@@H](CCN(CCc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

InChI Key InChIKey=LPHXYQMWXFEKNM-ARTPSBNFSA-N

Data  3 KI  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50247635   

TargetNicotinamide N-methyltransferase(Human)
Biokin

Curated by ChEMBL
LigandPNGBDBM50247635(CHEMBL4100002)
Affinity DataKi:  912nMAssay 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 DepthDetails ArticlePubMed

TargetNicotinamide N-methyltransferase(Human)
Biokin

Curated by ChEMBL
LigandPNGBDBM50247635(CHEMBL4100002)
Affinity DataKi:  912nMAssay 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 DepthDetails ArticlePubMed

TargetNicotinamide N-methyltransferase(Human)
Biokin

Curated by ChEMBL
LigandPNGBDBM50247635(CHEMBL4100002)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells us...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNicotinamide N-methyltransferase(Human)
Biokin

Curated by ChEMBL
LigandPNGBDBM50247635(CHEMBL4100002)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) using nicotinamide/SAM as substrate/co-factor measured for 20 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNicotinamide N-methyltransferase(Human)
Biokin

Curated by ChEMBL
LigandPNGBDBM50247635(CHEMBL4100002)
Affinity DataKd:  4.28E+4nMAssay Description:Binding affinity to human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed