Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50148709
Substrate
n/a
Meas. Tech.
ChEBML_51922
IC50
>2000±n/a nM
Citation
 Revesz, L; Blum, E; Di Padova, FE; Buhl, T; Feifel, R; Gram, H; Hiestand, P; Manning, U; Rucklin, G SAR of benzoylpyridines and benzophenones as p38alpha MAP kinase inhibitors with oral activity. Bioorg Med Chem Lett 14:3601-5 (2004) [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:
BDBM50148709
Synonyms:
(5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4-(2,4-difluorophenylamino)phenyl)methanone | CHEMBL419409 | [5-(3-Amino-3-methyl-but-1-ynyl)-2-methoxy-phenyl]-[4-(2,4-difluoro-phenylamino)-phenyl]-methanone
Type:
Small organic molecule
Emp. Form.:
C25H22F2N2O2
Mol. Mass.:
420.4512
SMILES:
COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Structure:
Search PDB for entries with ligand similarity: