Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50444547
Substrate
n/a
Meas. Tech.
ChEMBL_1281754 (CHEMBL3100523)
IC50
9880±n/a nM
Citation
 Tukulula, M; Njoroge, M; Abay, ET; Mugumbate, GC; Wiesner, L; Taylor, D; Gibhard, L; Norman, J; Swart, KJ; Gut, J; Rosenthal, PJ; Barteau, S; Streckfuss, J; Kameni-Tcheudji, J; Chibale, K Synthesis and in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds. ACS Med Chem Lett 4:1198-202 (2013) [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:
BDBM50444547
Synonyms:
CHEMBL3099819
Type:
Small organic molecule
Emp. Form.:
C24H28ClN7
Mol. Mass.:
449.979
SMILES:
Cc1ccc(cc1)C(NCCNc1ccnc2cc(Cl)ccc12)c1nnnn1C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: