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Target
Cytochrome P450 2C9
Ligand
BDBM50154359
Substrate
n/a
Meas. Tech.
ChEMBL_1560507 (CHEMBL3776779)
IC50
12572±n/a nM
Citation
 Lotesta, SD; Marcus, AP; Zheng, Y; Leftheris, K; Noto, PB; Meng, S; Kandpal, G; Chen, G; Zhou, J; McKeever, B; Bukhtiyarov, Y; Zhao, Y; Lala, DS; Singh, SB; McGeehan, GM Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists. Bioorg Med Chem 24:1384-91 (2016) [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:
BDBM50154359
Synonyms:
CHEMBL3775464
Type:
Small organic molecule
Emp. Form.:
C30H27FN2O4
Mol. Mass.:
498.5448
SMILES:
OC(=O)CCN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
Structure:
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