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Target
Cytochrome P450 3A4
Ligand
BDBM50371686
Substrate
n/a
Meas. Tech.
ChEMBL_463857 (CHEMBL935017)
IC50
11000±n/a nM
Citation
 Hernández, AS; Swartz, SG; Slusarchyk, D; Yan, M; Seethala, RK; Sleph, P; Grover, G; Dickinson, K; Giupponi, L; Harper, TW; Humphreys, WG; Longhi, DA; Flynn, N; Murphy, BJ; Gordon, DA; Biller, SA; Robl, JA; Tino, JA Optimization of 1H-tetrazole-1-alkanenitriles as potent orally bioavailable growth hormone secretagogues. Bioorg Med Chem Lett 18:2067-72 (2008) [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:
BDBM50371686
Synonyms:
CHEMBL271876
Type:
Small organic molecule
Emp. Form.:
C23H28N8O3
Mol. Mass.:
464.5202
SMILES:
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N
Structure:
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