Target
Cytochrome P450 3A4
Ligand
BDBM50237064
Substrate
n/a
Meas. Tech.
ChEMBL_463080 (CHEMBL928990)
IC50
>6000±n/a nM
Citation
 Zhang, XRueter, JKChen, YMoorjani, MLanier, MCLin, EGross, RSTellew, JEWilliams, JPLechner, SMMarkison, SJoswig, TMalany, SSantos, MCastro-Palomino, JCCrespo, MIPrat, MGual, SDíaz, JLSaunders, JSlee, DH Synthesis of N-pyrimidinyl-2-phenoxyacetamides as adenosine A2A receptor antagonists. Bioorg Med Chem Lett 18:1778-83 (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:
BDBM50237064
Synonyms:
CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide
Type:
Small organic molecule
Emp. Form.:
C25H28N6O3
Mol. Mass.:
460.5282
SMILES:
CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Structure:
Search PDB for entries with ligand similarity: