Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50263425
Substrate
n/a
Meas. Tech.
ChEMBL_536375 (CHEMBL991596)
IC50
>10000±n/a nM
Citation
 Westaway, SM; Thompson, M; Rami, HK; Stemp, G; Trouw, LS; Mitchell, DJ; Seal, JT; Medhurst, SJ; Lappin, SC; Biggs, J; Wright, J; Arpino, S; Jerman, JC; Cryan, JE; Holland, V; Winborn, KY; Coleman, T; Stevens, AJ; Davis, JB; Gunthorpe, MJ Design and synthesis of 6-phenylnicotinamide derivatives as antagonists of TRPV1. Bioorg Med Chem Lett 18:5609-13 (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:
BDBM50263425
Synonyms:
6-(4-fluorophenyl)-2-methyl-N-(quinolin-7-yl)nicotinamide | CHEMBL477204
Type:
Small organic molecule
Emp. Form.:
C22H16FN3O
Mol. Mass.:
357.3803
SMILES:
Cc1nc(ccc1C(=O)Nc1ccc2cccnc2c1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: