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Target
Cytochrome P450 3A4
Ligand
BDBM50046058
Substrate
n/a
Meas. Tech.
ChEMBL_1458157 (CHEMBL3368203)
IC50
>20000±n/a nM
Citation
 Clemens, JJ; Coon, T; Busch, BB; Asgian, JL; Hudson, S; Termin, A; Flores, TB; Tran, D; Chiang, P; Sperry, S; Gross, R; Abt, J; Heim, R; Lechner, S; Twin, H; Studley, J; Brenchley, G; Collier, PN; Pierard, F; Miller, A; Mak, C; Dvornikovs, V; Jimenez, JM; Stamos, D Strategies for the modulation of phase II metabolism in a series of PKCe inhibitors. Bioorg Med Chem Lett 24:3398-402 (2014) [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:
BDBM50046058
Synonyms:
CHEMBL3310294
Type:
Small organic molecule
Emp. Form.:
C20H17F3N4O2
Mol. Mass.:
402.3698
SMILES:
OC[C@@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|
Structure:
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