Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 3A4 |
---|
Ligand | BDBM50060766 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1462161 (CHEMBL3396935) |
---|
IC50 | >10000±n/a nM |
---|
Citation | Zak, M; Liederer, BM; Sampath, D; Yuen, PW; Bair, KW; Baumeister, T; Buckmelter, AJ; Clodfelter, KH; Cheng, E; Crocker, L; Fu, B; Han, B; Li, G; Ho, YC; Lin, J; Liu, X; Ly, J; O'Brien, T; Reynolds, DJ; Skelton, N; Smith, CC; Tay, S; Wang, W; Wang, Z; Xiao, Y; Zhang, L; Zhao, G; Zheng, X; Dragovich, PS Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg Med Chem Lett25:529-41 (2015) [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
|
|
|
BDBM50060766 |
---|
n/a |
---|
Name | BDBM50060766 |
Synonyms: | CHEMBL3394738 | US9458172, 62 |
Type | Small organic molecule |
Emp. Form. | C20H19N5O4S |
Mol. Mass. | 425.461 |
SMILES | CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 |
Structure |
|