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Target
Cytochrome P450 2C9
Ligand
BDBM50056004
Substrate
n/a
Meas. Tech.
ChEMBL_1447046 (CHEMBL3374952)
IC50
25700±n/a nM
Citation
 Buzard, DJ; Kim, SH; Lehmann, J; Han, S; Calderon, I; Wong, A; Kawasaki, A; Narayanan, S; Bhat, R; Gharbaoui, T; Lopez, L; Yue, D; Whelan, K; Al-Shamma, H; Unett, DJ; Shu, HH; Tung, SF; Chang, S; Chuang, CF; Morgan, M; Sadeque, A; Chu, ZL; Leonard, JN; Jones, RM Discovery and optimization of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. Bioorg Med Chem Lett 24:4332-5 (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:
BDBM50056004
Synonyms:
CHEMBL3326667
Type:
Small organic molecule
Emp. Form.:
C21H25FN4O6S
Mol. Mass.:
480.51
SMILES:
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(C)CC2)c1F)S(C)(=O)=O
Structure:
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