| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
|---|
| Ligand | BDBM50297308 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_760135 (CHEMBL1815391) |
|---|
| IC50 | >10000±n/a nM |
|---|
| Citation |  Moree, WJ; Li, BF; Zamani-Kord, S; Yu, J; Coon, T; Huang, C; Marinkovic, D; Tucci, FC; Malany, S; Bradbury, MJ; Hernandez, LM; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Jalali, K; Yang, C; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett20:5874-8 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 3A4 |
|---|
| Name: | Cytochrome P450 3A4 |
|---|
| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 57349.57 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | n/a |
|---|
| Residue: | 503 |
|---|
| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
|
|
|
|---|
| BDBM50297308 |
|---|
| n/a |
|---|
| Name | BDBM50297308 |
|---|
| Synonyms: | (-)-Dimethyl-{2-[3-((R)-1-pyrazin-2-yl-ethyl)-1H-inden-2-yl]-ethyl}-amine | (R)-N,N-dimethyl-2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden-2-yl)ethanamine | CHEMBL556506 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H23N3 |
|---|
| Mol. Mass. | 293.406 |
|---|
| SMILES | C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2| |
|---|
| Structure | 
|
|---|
Search and Browse
