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Target
Cytochrome P450 2D6
Ligand
BDBM50455078
Substrate
n/a
Meas. Tech.
ChEMBL_1753847 (CHEMBL4188607)
IC50
>20000±n/a nM
Citation
 Ruf, S; Hallur, MS; Anchan, NK; Swamy, IN; Murugesan, KR; Sarkar, S; Narasimhulu, LK; Putta, VPRK; Shaik, S; Chandrasekar, DV; Mane, VS; Kadnur, SV; Suresh, J; Bhamidipati, RK; Singh, M; Burri, RR; Kristam, R; Schreuder, H; Czech, J; Rudolph, C; Marker, A; Langer, T; Mullangi, R; Yura, T; Gosu, R; Kannt, A; Dhakshinamoorthy, S; Rajagopal, S Novel nicotinamide analog as inhibitor of nicotinamide N-methyltransferase. Bioorg Med Chem Lett 28:922-925 (2018) [PubMed]  Article
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50455078
Synonyms:
CHEMBL4218848
Type:
Small organic molecule
Emp. Form.:
C7H9N3O
Mol. Mass.:
151.1659
SMILES:
CNc1ccc(cn1)C(N)=O
Structure:
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