Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50007093
Substrate
n/a
Meas. Tech.
ChEMBL_1337889 (CHEMBL3240916)
IC50
>50000±n/a nM
Citation
 Lucas, MC; Bhagirath, N; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, PY; Kirchner, S; Kennedy-Smith, JJ; Kuglstatter, A; Lukacs, C; Menke, J; Niu, L; Padilla, F; Peng, Y; Polonchuk, L; Railkar, A; Slade, M; Soth, M; Xu, D; Yadava, P; Yee, C; Zhou, M; Liao, C Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors. J Med Chem 57:2683-91 (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:
BDBM50007093
Synonyms:
CHEMBL3237564
Type:
Small organic molecule
Emp. Form.:
C19H25N7O
Mol. Mass.:
367.4481
SMILES:
N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: