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Target
Cytochrome P450 2C9
Ligand
BDBM50379175
Substrate
n/a
Meas. Tech.
ChEMBL_810402 (CHEMBL2014820)
IC50
>25000±n/a nM
Citation
 Brocklehurst, KJ; Broo, A; Butlin, RJ; Brown, HS; Clarke, DS; Davidsson, Ö; Goldberg, K; Groombridge, SD; Kelly, EE; Leach, A; McKerrecher, D; O'Donnell, C; Poucher, S; Schofield, P; Scott, JS; Teague, J; Westgate, L; Wood, MJ Discovery, optimisation and in vivo evaluation of novel GPR119 agonists. Bioorg Med Chem Lett 21:7310-6 (2011) [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:
BDBM50379175
Synonyms:
CHEMBL2010836
Type:
Small organic molecule
Emp. Form.:
C23H25F3N6O
Mol. Mass.:
458.4794
SMILES:
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Structure:
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