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Target
Cytochrome P450 3A4
Ligand
BDBM50125272
Substrate
n/a
Meas. Tech.
ChEBML_52064
IC50
18000±n/a nM
Citation
 Blackie, JA; Bloomer, JC; Brown, MJ; Cheng, HY; Hammond, B; Hickey, DM; Ife, RJ; Leach, CA; Lewis, VA; Macphee, CH; Milliner, KJ; Moores, KE; Pinto, IL; Smith, SA; Stansfield, IG; Stanway, SJ; Taylor, MA; Theobald, CJ The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2. Bioorg Med Chem Lett 13:1067-70 (2003) [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:
BDBM50125272
Synonyms:
CHEMBL10663 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-(2-diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-cyclopentapyrimidin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C35H38ClFN4O2S
Mol. Mass.:
633.218
SMILES:
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Structure:
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