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Target
Cytochrome P450 2C19
Ligand
BDBM50437842
Substrate
n/a
Meas. Tech.
ChEMBL_973971 (CHEMBL2410118)
IC50
440±n/a nM
Citation
 Laufer, R; Forrest, B; Li, SW; Liu, Y; Sampson, P; Edwards, L; Lang, Y; Awrey, DE; Mao, G; Plotnikova, O; Leung, G; Hodgson, R; Beletskaya, I; Mason, JM; Luo, X; Wei, X; Yao, Y; Feher, M; Ban, F; Kiarash, R; Green, E; Mak, TW; Pan, G; Pauls, HW The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem 56:6069-87 (2013) [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:
BDBM50437842
Synonyms:
CHEMBL2407899
Type:
Small organic molecule
Emp. Form.:
C28H26N6O
Mol. Mass.:
462.5456
SMILES:
CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1
Structure:
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