BDBM50566784 CHEMBL4872872

SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1

InChI Key InChIKey=MYWJUCBOFWVIHA-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50566784   

TargetNicotinamide N-methyltransferase(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50566784(CHEMBL4872872)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Mouse)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50566784(CHEMBL4872872)
Affinity DataIC50: 2nMAssay Description:Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50566784(CHEMBL4872872)
Affinity DataIC50: 770nMAssay Description:Inhibition of human NNMT expressed in HEK293 cells assessed as reduction in 1-methyl-nicotinamide formation measured after 24 hrs by RapidFire Mass s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed