Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50100544
Substrate
n/a
Meas. Tech.
ChEMBL_1456745 (CHEMBL3371035)
IC50
76850±n/a nM
Citation
 Jeon, MK; Lee, KM; Kim, IH; Jang, YK; Kang, SK; Lee, JM; Jung, KY; Kumar, JA; Rhee, SD; Jung, WH; Song, JS; Bae, MA; Kim, KR; Ahn, JH Synthesis and biological evaluation of thienopyrimidine derivatives as GPR119 agonists. Bioorg Med Chem Lett 24:4281-5 (2014) [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:
BDBM50100544
Synonyms:
CHEMBL3321835
Type:
Small organic molecule
Emp. Form.:
C24H29FN4O4S2
Mol. Mass.:
520.64
SMILES:
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
Structure:
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