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Target
Cytochrome P450 2C9
Ligand
BDBM50218116
Substrate
n/a
Meas. Tech.
ChEMBL_444859 (CHEMBL895110)
IC50
80800±n/a nM
Citation
 Dziadulewicz, EK; Bevan, SJ; Brain, CT; Coote, PR; Culshaw, AJ; Davis, AJ; Edwards, LJ; Fisher, AJ; Fox, AJ; Gentry, C; Groarke, A; Hart, TW; Huber, W; James, IF; Kesingland, A; La Vecchia, L; Loong, Y; Lyothier, I; McNair, K; O'Farrell, C; Peacock, M; Portmann, R; Schopfer, U; Yaqoob, M; Zadrobilek, J Naphthalen-1-yl-(4-pentyloxynaphthalen-1-yl)methanone: a potent, orally bioavailable human CB1/CB2 dual agonist with antihyperalgesic properties and restricted central nervous system penetration. J Med Chem 50:3851-6 (2007) [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:
BDBM50218116
Synonyms:
CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphthalen-1-yl)methanone
Type:
Small organic molecule
Emp. Form.:
C26H24O2
Mol. Mass.:
368.4676
SMILES:
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Structure:
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