Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 3A
LigandBDBM50364336
Substrate/Competitorn/a
Meas. Tech.ChEMBL_804824
IC50>20000±n/a nM
Citation McElroy WTTan ZBasu KYang SWSmotryski JHo GDTulshian DGreenlee WJMullins DGuzzi MZhang XBleickardt CHodgson R Pyrazoloquinolines as PDE10A inhibitors: discovery of a tool compound. Bioorg Med Chem Lett 22:1335-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 3A
Name:Cytochrome P450 3A
Synonyms:Albendazole monooxygenase | Albendazole sulfoxidase | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | 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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50364336
n/a
NameBDBM50364336
Synonyms:CHEMBL1950088
TypeSmall organic molecule
Emp. Form.C18H14ClFN4O
Mol. Mass.356.781
SMILESCc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: