Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2C19 |
---|
Ligand | BDBM50149548 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1558107 (CHEMBL3771682) |
---|
IC50 | >10000±n/a nM |
---|
Citation | Heffron, TP; Heald, RA; Ndubaku, C; Wei, B; Augistin, M; Do, S; Edgar, K; Eigenbrot, C; Friedman, L; Gancia, E; Jackson, PS; Jones, G; Kolesnikov, A; Lee, LB; Lesnick, JD; Lewis, C; McLean, N; Mörtl, M; Nonomiya, J; Pang, J; Price, S; Prior, WW; Salphati, L; Sideris, S; Staben, ST; Steinbacher, S; Tsui, V; Wallin, J; Sampath, D; Olivero, AG The Rational Design of Selective Benzoxazepin Inhibitors of thea-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J Med Chem59:985-1002 (2016) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 2C19 |
---|
Name: | Cytochrome P450 2C19 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
BDBM50149548 |
---|
n/a |
---|
Name | BDBM50149548 |
Synonyms: | CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,104 No. 436 | US8242104, Compound 436 |
Type | Small organic molecule |
Emp. Form. | C19H22N6O3 |
Mol. Mass. | 382.4164 |
SMILES | CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| |
Structure |
|