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Target
Nicotinamide N-methyltransferase
Ligand
BDBM50566785
Substrate
n/a
Meas. Tech.
ChEMBL_2101684 (CHEMBL4810080)
IC50
40±n/a nM
Citation
 Hayashi, K; Uehara, S; Yamamoto, S; Cary, DR; Nishikawa, J; Ueda, T; Ozasa, H; Mihara, K; Yoshimura, N; Kawai, T; Ono, T; Yamamoto, S; Fumoto, M; Mikamiyama, H Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. ACS Med Chem Lett 12:1093-1101 (2021) [PubMed]  Article 
Target
Name:
Nicotinamide N-methyltransferase
Synonyms:
2.1.1.1 | NNMT_MOUSE | Nicotinamide N-methyltransferase | Nnmt
Type:
PROTEIN
Mol. Mass.:
29592.91
Organism:
Mus musculus
Description:
ChEMBL_117911
Residue:
264
Sequence:
MESGFTSKDTYLSHFNPRDYLEKYYSFGSRHCAENEILRHLLKNLFKIFCLGAVKGELLIDIGSGPTIYQLLSACESFTEIIVSDYTDQNLWELQKWLKKEPGAFDWSPVVTYVCDLEGNRMKGPEKEEKLRRAIKQVLKCDVTQSQPLGGVSLPPADCLLSTLCLDAACPDLPAYRTALRNLGSLLKPGGFLVMVDALKSSYYMIGEQKFSSLPLGWETVRDAVEEAGYTIEQFEVISQNYSSTTSNNEGLFSLVGRKPGRSE
  
Inhibitor
Name:
BDBM50566785
Synonyms:
CHEMBL4868364
Type:
Small organic molecule
Emp. Form.:
C56H73N11O10S
Mol. Mass.:
1092.312
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r|
Structure:
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