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Target
Cytochrome P450 3A4
Ligand
BDBM50254738
Substrate
n/a
Meas. Tech.
ChEMBL_560184 (CHEMBL1014597)
IC50
>100000±n/a nM
Citation
 Mitchell, WL; Giblin, GM; Naylor, A; Eatherton, AJ; Slingsby, BP; Rawlings, AD; Jandu, KS; Haslam, CP; Brown, AJ; Goldsmith, P; Clayton, NM; Wilson, AW; Chessell, IP; Green, RH; Whittington, AR; Wall, ID Pyridine-3-carboxamides as novel CB(2) agonists for analgesia. Bioorg Med Chem Lett 19:259-63 (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:
BDBM50254738
Synonyms:
4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide | CHEMBL479628
Type:
Small organic molecule
Emp. Form.:
C21H23Cl2N3O2
Mol. Mass.:
420.332
SMILES:
Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1
Structure:
Search PDB for entries with ligand similarity: