Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50218035
Substrate
n/a
Meas. Tech.
ChEMBL_456986 (CHEMBL923330)
IC50
>19000±n/a nM
Citation
 Ward, SE; Johnson, CN; Lovell, PJ; Scott, CM; Smith, PW; Stemp, G; Thewlis, KM; Vong, AK; Watson, JM Studies on a series of potent, orally bioavailable, 5-HT(1) receptor ligands. Bioorg Med Chem Lett 17:5214-7 (2007) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50218035
Synonyms:
8-fluoro-4-methyl-6-((4-(2-(2-methylquinolin-5-yloxy)ethyl)piperazin-1-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one | CHEMBL247428
Type:
Small organic molecule
Emp. Form.:
C26H29FN4O3
Mol. Mass.:
464.5319
SMILES:
CN1C(=O)COc2c(F)cc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12
Structure:
Search PDB for entries with ligand similarity: