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Target
Cytochrome P450 2D6
Ligand
BDBM50194556
Substrate
n/a
Meas. Tech.
ChEMBL_424439 (CHEMBL910717)
IC50
>30000±n/a nM
Citation
 Elliott, JM; Carling, RW; Chicchi, GG; Crawforth, J; Hutson, PH; Jones, AB; Kelly, S; Marwood, R; Meneses-Lorente, G; Mezzogori, E; Murray, F; Rigby, M; Royo, I; Russell, MG; Shaw, D; Sohal, B; Tsao, KL; Williams, B N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists II. Bioorg Med Chem Lett 16:5752-6 (2006) [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:
BDBM50194556
Synonyms:
CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylmethyl)-8-fluoro-2-phenyl-quinoline-4-carbonyl]-N-phenyl-hydrazinecarboxylic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C33H36FN5O3
Mol. Mass.:
569.669
SMILES:
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Structure:
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