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Target
Cytochrome P450 2C19
Ligand
BDBM50393084
Substrate
n/a
Meas. Tech.
ChEMBL_2157125 (CHEMBL5041785)
IC50
>10000±n/a nM
Citation
 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM A Brain-Penetrant and Bioavailable Pyrazolopiperazine BACE1 Inhibitor Elicits Sustained Reduction of Amyloid ? In Vivo. ACS Med Chem Lett 13:76-83 (2022) [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:
BDBM50393084
Synonyms:
CHEMBL2152899
Type:
Small organic molecule
Emp. Form.:
C21H15FN8O
Mol. Mass.:
414.3952
SMILES:
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
Structure:
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