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Target
Cytochrome P450 3A4
Ligand
BDBM193124
Substrate
n/a
Meas. Tech.
ChEMBL_1933992 (CHEMBL4479644)
IC50
>10000±n/a nM
Citation
 Meegalla, SK; Huang, H; Illig, CR; Parks, DJ; Chen, J; Lee, YK; Wilson, KJ; Patel, SK; Cheung, WS; Lu, T; Kirchner, T; Askari, HB; Geisler, J; Patch, RJ; Gibbs, AC; Rady, B; Connelly, M; Player, MR Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors. Bioorg Med Chem Lett 26:4216-22 (2016) [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:
BDBM193124
Synonyms:
US9193736, 40
Type:
Small organic molecule
Emp. Form.:
C28H23N5O3
Mol. Mass.:
477.5139
SMILES:
OC(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
Structure:
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