| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
|---|
| Ligand | BDBM50541738 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1985344 (CHEMBL4618750) |
|---|
| IC50 | >50000±n/a nM |
|---|
| Citation |  Liu, Y; Wu, J; Zhou, M; Chen, W; Li, D; Wang, Z; Hornsperger, B; Aebi, JD; Märki, HP; Kuhn, B; Wang, L; Kuglstatter, A; Benz, J; Müller, S; Hochstrasser, R; Ottaviani, G; Xin, J; Kirchner, S; Mohr, S; Verry, P; Riboulet, W; Shen, HC; Mayweg, AV; Amrein, K; Tan, X Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J Med Chem63:6876-6897 (2020) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2C9 |
|---|
| 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: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
|---|
| BDBM50541738 |
|---|
| n/a |
|---|
| Name | BDBM50541738 |
|---|
| Synonyms: | CHEMBL4644373 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C15H13ClN2O |
|---|
| Mol. Mass. | 272.73 |
|---|
| SMILES | CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 |
|---|
| Structure | 
|
|---|
Search and Browse
