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Target
Cytochrome P450 3A4
Ligand
BDBM217116
Substrate
n/a
Meas. Tech.
ChEBML_1686180
IC50
>20000±n/a nM
Citation
 Curtin, ML; Heyman, HR; Clark, RF; Sorensen, BK; Doherty, GA; Hansen, TM; Frey, RR; Sarris, KA; Aguirre, AL; Shrestha, A; Tu, N; Woller, K; Pliushchev, MA; Sweis, RF; Cheng, M; Wilsbacher, JL; Kovar, PJ; Guo, J; Cheng, D; Longenecker, KL; Raich, D; Korepanova, AV; Soni, NB; Algire, MA; Richardson, PL; Marin, VL; Badagnani, I; Vasudevan, A; Buchanan, FG; Maag, D; Chiang, GG; Tse, C; Michaelides, MR SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett 27:3317-3325 (2017) [PubMed]  Article 
Target
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM217116
Synonyms:
US9302989, 411
Type:
Small organic molecule
Emp. Form.:
C21H23N3O3
Mol. Mass.:
365.4256
SMILES:
O=C(Nc1ccc(cc1)C(=O)NC[C@@H]1CCOC1)N1Cc2ccccc2C1
Structure:
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