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Target
Cytochrome P450 3A4
Ligand
BDBM50364343
Substrate
n/a
Meas. Tech.
ChEMBL_804824 (CHEMBL1953643)
IC50
800±n/a nM
Citation
 McElroy, WT; Tan, Z; Basu, K; Yang, SW; Smotryski, J; Ho, GD; Tulshian, D; Greenlee, WJ; Mullins, D; Guzzi, M; Zhang, X; Bleickardt, C; Hodgson, R Pyrazoloquinolines as PDE10A inhibitors: discovery of a tool compound. Bioorg Med Chem Lett 22:1335-9 (2012) [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:
BDBM50364343
Synonyms:
CHEMBL1950080
Type:
Small organic molecule
Emp. Form.:
C21H18N4O
Mol. Mass.:
342.3938
SMILES:
COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1
Structure:
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