BDBM50627706 CHEMBL5433732

SMILES CC(=O)N(CC#Cc1cc(ccc1Cl)C(N)=O)C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12

InChI Key InChIKey=INAXOPGJZCFUMW-UHFFFAOYSA-N

Data  4 KI  5 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 10 hits for monomerid = 50627706   

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataIC50: 150nMAssay Description:Inhibition of NNMT in human 769-P cells assessed as reduction in MNA level measured after 48 hrs by MRM analysisMore 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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataIC50: 32nMAssay 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
TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataIC50: 164nMAssay 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
TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataKd:  234nMAssay Description:Binding affinity to full-length wild-type human NNMT (1 to 270 residues) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation const...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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataIC50: 700nMAssay Description:Inhibition of NNMT in human 769-P cells assessed as MNA level incubated for 24 hrs by MRM analysisMore 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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataIC50: 100nMAssay Description:Inhibition of NNMT in human 769-P cells assessed as MNA level incubated for 48 hrs by MRM analysisMore 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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to full-length wild-type human NNMT (1 to 270 residues) expressed in Escherichia coli BL21(DE3) cells assessed as apparent inhibitio...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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells assessed as apparent inhibition constant using n...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
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataKi:  1.60nMAssay 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
TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50627706(CHEMBL5433732)
Affinity DataKi:  38nMAssay 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