Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50334593
Substrate
n/a
Meas. Tech.
ChEMBL_698982 (CHEMBL1646086)
IC50
>20000±n/a nM
Citation
 Mesaros, EF; Burke, JP; Parrish, JD; Dugan, BJ; Anzalone, AV; Angeles, TS; Albom, MS; Aimone, LD; Quail, MR; Wan, W; Lu, L; Huang, Z; Ator, MA; Ruggeri, BA; Cheng, M; Ott, GR; Dorsey, BD Novel 2,3,4,5-tetrahydro-benzo[d]azepine derivatives of 2,4-diaminopyrimidine, selective and orally bioavailable ALK inhibitors with antitumor efficacy in ALCL mouse models. Bioorg Med Chem Lett 21:463-6 (2010) [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:
BDBM50334593
Synonyms:
2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)pyrimidin-2-ylamino)-8-methoxy-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-N,N-dimethylacetamide | CHEMBL1642258
Type:
Small organic molecule
Emp. Form.:
C30H38ClN7O4
Mol. Mass.:
596.12
SMILES:
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: