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Target
Cytochrome P450 2C9
Ligand
BDBM50400413
Substrate
n/a
Meas. Tech.
ChEMBL_877280 (CHEMBL2188569)
IC50
3000±n/a nM
Citation
 Katamreddy, SR; Carpenter, AJ; Ammala, CE; Boros, EE; Brashear, RL; Briscoe, CP; Bullard, SR; Caldwell, RD; Conlee, CR; Croom, DK; Hart, SM; Heyer, DO; Johnson, PR; Kashatus, JA; Minick, DJ; Peckham, GE; Ross, SA; Roller, SG; Samano, VA; Sauls, HR; Tadepalli, SM; Thompson, JB; Xu, Y; Way, JM Discovery of 6,7-dihydro-5H-pyrrolo[2,3-a]pyrimidines as orally available G protein-coupled receptor 119 agonists. J Med Chem 55:10972-94 (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:
BDBM50400413
Synonyms:
CHEMBL2177777
Type:
Small organic molecule
Emp. Form.:
C22H27FN4O5S
Mol. Mass.:
478.537
SMILES:
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
Structure:
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