Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50604675
Substrate
n/a
Meas. Tech.
ChEMBL_2249037 (CHEMBL5163247)
IC50
>50000±n/a nM
Citation
 Huang, Y; Sendzik, M; Zhang, J; Gao, Z; Sun, Y; Wang, L; Gu, J; Zhao, K; Yu, Z; Zhang, L; Zhang, Q; Blanz, J; Chen, Z; Dubost, V; Fang, D; Feng, L; Fu, X; Kiffe, M; Li, L; Luo, F; Luo, X; Mi, Y; Mistry, P; Pearson, D; Piaia, A; Scheufler, C; Terranova, R; Weiss, A; Zeng, J; Zhang, H; Zhang, J; Zhao, M; Dillon, MP; Jeay, S; Qi, W; Moggs, J; Pissot-Soldermann, C; Li, E; Atadja, P; Lingel, A; Oyang, C Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J Med Chem 65:5317-5333 (2022) [PubMed] 
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:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50604675
Synonyms:
CHEMBL5202848
Type:
Small organic molecule
Emp. Form.:
C20H18FN5O
Mol. Mass.:
363.3882
SMILES:
COc1cccc(F)c1CNc1ccc(-c2cccnc2C)c2nncn12
Structure:
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