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Target
Cytochrome P450 2C9
Ligand
BDBM50438760
Substrate
n/a
Meas. Tech.
ChEMBL_976814 (CHEMBL2417294)
IC50
8430±n/a nM
Citation
 Oehlrich, D; Rombouts, FJ; Berthelot, D; Bischoff, FP; De Cleyn, MA; Jaroskova, L; Macdonald, G; Mercken, M; Surkyn, M; Trabanco, AA; Tresadern, G; Van Brandt, S; Velter, AI; Wu, T; Gijsen, HJ Design and synthesis of bicyclic heterocycles as potent¿-secretase modulators. Bioorg Med Chem Lett 23:4794-800 (2013) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50438760
Synonyms:
CHEMBL2415098
Type:
Small organic molecule
Emp. Form.:
C23H20F3N5O2
Mol. Mass.:
455.4324
SMILES:
COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](OCCn2n1)c1ccccc1C(F)(F)F |r|
Structure:
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