Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50269847
Substrate
n/a
Meas. Tech.
ChEMBL_1707429 (CHEMBL4058662)
IC50
>10000±n/a nM
Citation
 Romero, FA; Murray, J; Lai, KW; Tsui, V; Albrecht, BK; An, L; Beresini, MH; de Leon Boenig, G; Bronner, SM; Chan, EW; Chen, KX; Chen, Z; Choo, EF; Clagg, K; Clark, K; Crawford, TD; Cyr, P; de Almeida Nagata, D; Gascoigne, KE; Grogan, JL; Hatzivassiliou, G; Huang, W; Hunsaker, TL; Kaufman, S; Koenig, SG; Li, R; Li, Y; Liang, X; Liao, J; Liu, W; Ly, J; Maher, J; Masui, C; Merchant, M; Ran, Y; Taylor, AM; Wai, J; Wang, F; Wei, X; Yu, D; Zhu, BY; Zhu, X; Magnuson, S GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J Med Chem 60:9162-9183 (2017) [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:
BDBM50269847
Synonyms:
CHEMBL4097025
Type:
Small organic molecule
Emp. Form.:
C27H33F2N7O2
Mol. Mass.:
525.5934
SMILES:
CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Structure:
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