Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50248347
Substrate
n/a
Meas. Tech.
ChEMBL_566575 (CHEMBL964174)
IC50
>10000±n/a nM
Citation
 Troxler, T; Hurth, K; Mattes, H; Prashad, M; Schoeffter, P; Langenegger, D; Enz, A; Hoyer, D Discovery of novel non-peptidic beta-alanine piperazine amide derivatives and their optimization to achiral, easily accessible, potent and selective somatostatin sst1 receptor antagonists. Bioorg Med Chem Lett 19:1305-9 (2009) [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:
BDBM50248347
Synonyms:
3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(3,4-difluorophenyl)piperazin-1-yl)propan-1-one hydrochloride | CHEMBL473763
Type:
Small organic molecule
Emp. Form.:
C29H31F2N3O
Mol. Mass.:
475.5727
SMILES:
CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Structure:
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