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Target
Cytochrome P450 3A4
Ligand
BDBM50140878
Substrate
n/a
Meas. Tech.
ChEMBL_52065 (CHEMBL664805)
IC50
1530±n/a nM
Citation
 Wang, S; Wan, NC; Harrison, J; Miller, W; Chuckowree, I; Sohal, S; Hancox, TC; Baker, S; Folkes, A; Wilson, F; Thompson, D; Cocks, S; Farmer, H; Boyce, A; Freathy, C; Broadbridge, J; Scott, J; Depledge, P; Faint, R; Mistry, P; Charlton, P Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. J Med Chem 47:1339-50 (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:
BDBM50140878
Synonyms:
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-7-methoxy-5H-pyrimido[5,4-b]indole | CHEMBL281284
Type:
Small organic molecule
Emp. Form.:
C23H23F2N5O
Mol. Mass.:
423.4584
SMILES:
COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
Structure:
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