BDBM50022799 CHEMBL5276952

SMILES [H][C@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc2ccc(OCCSC[C@H](NC1=O)C(=O)NCC(O)=O)cc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC

InChI Key InChIKey=VSAKNEQOIGSEFP-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022799   

TargetNicotinamide N-methyltransferase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50022799(CHEMBL5276952)
Affinity DataIC50: 240nMAssay Description:Inhibition of full-length human wild-type NNMT assessed as formation of MNA at 0.5 uM using nicotinamide as substrate and SAM as cofactor preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed