Reaction Details Report a problem with these data
Target
Nicotinamide N-methyltransferase
Ligand
BDBM50566784
Substrate
n/a
Meas. Tech.
ChEMBL_2101683 (CHEMBL4810079)
IC50
1.9±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:
NNMT | NNMT_HUMAN | Nicotinamide N-methyltransferase | Nicotinamide N-methyltransferase (NNMT)
Type:
Protein
Mol. Mass.:
29571.16
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
264
Sequence:
MESGFTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPEAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVARKLSRPL
  
Inhibitor
Name:
BDBM50566784
Synonyms:
CHEMBL4872872
Type:
Small organic molecule
Emp. Form.:
C69H79F2N9O9S
Mol. Mass.:
1248.482
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 |r|
Structure:
Search PDB for entries with ligand similarity: