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Target
Cytochrome P450 3A4
Ligand
BDBM50228553
Substrate
n/a
Meas. Tech.
ChEMBL_452861 (CHEMBL903104)
IC50
>100000±n/a nM
Citation
 Procopiou, PA; Ancliff, RA; Bamford, MJ; Browning, C; Connor, H; Davies, S; Fogden, YC; Hodgson, ST; Holmes, DS; Looker, BE; Morriss, KM; Parr, CA; Pickup, EA; Sehmi, SS; White, GV; Watts, CJ; Wilson, DM; Woodrow, MD 4-acyl-1-(4-aminoalkoxyphenyl)-2-ketopiperazines as a novel class of non-brain-penetrant histamine H3 receptor antagonists. J Med Chem 50:6706-17 (2007) [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:
BDBM50228553
Synonyms:
4-(1-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-2-oxopiperazine-4-carbonyl)benzonitrile formic acid | CHEMBL239099
Type:
Small organic molecule
Emp. Form.:
C27H30N4O3
Mol. Mass.:
458.5521
SMILES:
O=C(N1CCN(C(=O)C1)c1ccc(OC2CCN(CC2)C2CCC2)cc1)c1ccc(cc1)C#N
Structure:
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