| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
|---|
| Ligand | BDBM50041983 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1443695 (CHEMBL3380168) |
|---|
| IC50 | >50000±n/a nM |
|---|
| Citation |  Buzard, DJ; Lopez, L; Moody, J; Kawasaki, A; Schrader, TO; Kasem, M; Johnson, B; Zhu, X; Thoresen, L; Kim, SH; Gharbaoui, T; Sengupta, D; Calvano, L; Krishnan, A; Gao, Y; Semple, G; Edwards, J; Barden, J; Morgan, M; Usmani, K; Chen, C; Sadeque, A; Chen, W; Christopher, RJ; Thatte, J; Fu, L; Solomon, M; Whelan, K; Al-Shamma, H; Gatlin, J; Gaidarov, I; Anthony, T; Le, M; Unett, DJ; Stirn, S; Blackburn, A; Behan, DP; Jones, RM (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists. ACS Med Chem Lett5:1334-9 (2014) [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
|
|
|
|---|
| BDBM50041983 |
|---|
| n/a |
|---|
| Name | BDBM50041983 |
|---|
| Synonyms: | CHEMBL3359523 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H23ClF3NO4 |
|---|
| Mol. Mass. | 481.892 |
|---|
| SMILES | CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| |
|---|
| Structure | 
|
|---|
Search and Browse
