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Target
Cytochrome P450 2D6
Ligand
BDBM50078119
Substrate
n/a
Meas. Tech.
ChEMBL_1471929 (CHEMBL3420844)
IC50
>30000±n/a nM
Citation
 Takahashi, H; Riether, D; Bartolozzi, A; Bosanac, T; Berger, V; Binetti, R; Broadwater, J; Chen, Z; Crux, R; De Lombaert, S; Dave, R; Dines, JA; Fadra-Khan, T; Flegg, A; Garrigou, M; Hao, MH; Huber, J; Hutzler, JM; Kerr, S; Kotey, A; Liu, W; Lo, HY; Loke, PL; Mahaney, PE; Morwick, TM; Napier, S; Olague, A; Pack, E; Padyana, AK; Thomson, DS; Tye, H; Wu, L; Zindell, RM; Abeywardane, A; Simpson, T Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4-(3-{(r)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915). J Med Chem 58:1669-90 (2015) [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:
BDBM50078119
Synonyms:
CHEMBL3417525
Type:
Small organic molecule
Emp. Form.:
C24H26N8O2
Mol. Mass.:
458.5156
SMILES:
CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Structure:
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