Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2C9 |
---|
Ligand | BDBM50011333 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1352208 (CHEMBL3268564) |
---|
IC50 | >40000±n/a nM |
---|
Citation | Ellsworth, BA; Sher, PM; Wu, X; Wu, G; Sulsky, RB; Gu, Z; Murugesan, N; Zhu, Y; Yu, G; Sitkoff, DF; Carlson, KE; Kang, L; Yang, Y; Lee, N; Baska, RA; Keim, WJ; Cullen, MJ; Azzara, AV; Zuvich, E; Thomas, MA; Rohrbach, KW; Devenny, JJ; Godonis, HE; Harvey, SJ; Murphy, BJ; Everlof, GG; Stetsko, PI; Gudmundsson, O; Johnghar, S; Ranasinghe, A; Behnia, K; Pelleymounter, MA; Ewing, WR Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties. J Med Chem56:9586-600 (2014) [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
|
|
|
BDBM50011333 |
---|
n/a |
---|
Name | BDBM50011333 |
Synonyms: | CHEMBL3260753 |
Type | Small organic molecule |
Emp. Form. | C26H21ClF3N7O2 |
Mol. Mass. | 555.939 |
SMILES | CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |
Structure |
|