| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2E1 |
|---|
| Ligand | BDBM50358201 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_790072 (CHEMBL1925462) |
|---|
| IC50 | >30000±n/a nM |
|---|
| Citation |  Kaku, T; Hitaka, T; Ojida, A; Matsunaga, N; Adachi, M; Tanaka, T; Hara, T; Yamaoka, M; Kusaka, M; Okuda, T; Asahi, S; Furuya, S; Tasaka, A Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. Bioorg Med Chem19:6383-99 (2011) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2E1 |
|---|
| Name: | Cytochrome P450 2E1 |
|---|
| Synonyms: | CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 56860.34 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P05181 |
|---|
| Residue: | 493 |
|---|
| Sequence: | MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRL
AQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGP
TWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVI
ADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVA
EVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAG
TETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRF
ITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK
FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGC
IPPRYKLCVIPRS
|
|
|
|---|
| BDBM50358201 |
|---|
| n/a |
|---|
| Name | BDBM50358201 |
|---|
| Synonyms: | CHEMBL1921976 | US9611270, orteronel |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H17N3O2 |
|---|
| Mol. Mass. | 307.3465 |
|---|
| SMILES | CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
