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Target
Cytochrome P450 2C9
Ligand
BDBM50001929
Substrate
n/a
Meas. Tech.
ChEMBL_1364174 (CHEMBL3292889)
IC50
>30000±n/a nM
Citation
 Ma, Y; Lahue, BR; Gibeau, CR; Shipps, GW; Bogen, SL; Wang, Y; Guo, Z; Guzi, TJ Pivotal Role of an Aliphatic Side Chain in the Development of an HDM2 Inhibitor. ACS Med Chem Lett 5:572-5 (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:
BDBM50001929
Synonyms:
CHEMBL3233018
Type:
Small organic molecule
Emp. Form.:
C36H38F6N4O5
Mol. Mass.:
720.7011
SMILES:
COCCOc1ccccc1N1CCN(CC1)C(=O)[C@@]1(CCCN([C@@H]1CC=C)C(=O)c1cnccc1C(F)(F)F)Oc1ccc(cc1)C(F)(F)F |r|
Structure:
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