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Target
Cytochrome P450 2C9
Ligand
BDBM50364553
Substrate
n/a
Meas. Tech.
ChEMBL_802829 (CHEMBL1953647)
IC50
2500±n/a nM
Citation
 Semple, G; Lehmann, J; Wong, A; Ren, A; Bruce, M; Shin, YJ; Sage, CR; Morgan, M; Chen, WC; Sebring, K; Chu, ZL; Leonard, JN; Al-Shamma, H; Grottick, AJ; Du, F; Liang, Y; Demarest, K; Jones, RM Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile. Bioorg Med Chem Lett 22:1750-5 (2012) [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:
BDBM50364553
Synonyms:
CHEMBL1951022
Type:
Small organic molecule
Emp. Form.:
C21H29N5O5S
Mol. Mass.:
463.55
SMILES:
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1C
Structure:
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