Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2C9 |
---|
Ligand | BDBM50334929 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_702469 (CHEMBL1656983) |
---|
IC50 | >8000±n/a nM |
---|
Citation | Aldegheri, L; Austin, NE; Ballantine, S; Bax, BD; Bradley, DM; Ballini, E; Harries, M; Harris, AJ; Clarke, BP; Mookherjee, C; Harrison, SA; Melarange, RA; Mosley, J; Oliosi, B; Dal Negro, G; Smith, KJ; Thewlis, KM; Ward, SE; Woollard, PM; Yusaf, SP Integration of lead optimization with crystallography for a membrane-bound ion channel target: discovery of a new class of AMPA receptor positive allosteric modulators. J Med Chem54:78-94 (2011) [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
|
|
|
BDBM50334929 |
---|
n/a |
---|
Name | BDBM50334929 |
Synonyms: | 1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone | CHEMBL1649681 |
Type | Small organic molecule |
Emp. Form. | C18H18F3N3O2 |
Mol. Mass. | 365.3496 |
SMILES | FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 |
Structure |
|