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SMILES CNc1ccc(cn1)C(N)=O

InChI Key InChIKey=HDWPOVNHZLSOTE-UHFFFAOYSA-N

  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 10 hits for monomerid = 50455078   

TargetNicotinamide N-methyltransferase(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of NNMT in human U2OS cells assessed as reduction in MNA production after 24 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetNicotinamide N-methyltransferase(Mus musculus)
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of NNMT in mouse 3T3L1 cells assessed as reduction in MNA production after 24 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetNicotinamide N-methyltransferase(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 512nMAssay Description:Inhibition of human NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetNicotinamide N-methyltransferase(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 1.53E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41WHHPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetNicotinamide N-methyltransferase(Mus musculus)
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of mouse NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed
TargetNicotinamide N-methyltransferase(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5KX6PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM50455078(CHEMBL4218848)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z184CPubMed