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Target
Cytochrome P450 3A4
Ligand
BDBM50325464
Substrate
n/a
Meas. Tech.
ChEMBL_652208 (CHEMBL1228481)
IC50
500±n/a nM
Citation
 Ting, PC; Lee, JF; Albanese, MM; Wu, J; Aslanian, R; Favreau, L; Nardo, C; Korfmacher, WA; West, RE; Williams, SM; Anthes, JC; Rivelli, MA; Corboz, MR; Hey, JA The synthesis and structure-activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists. Bioorg Med Chem Lett 20:5004-8 (2010) [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:
BDBM50325464
Synonyms:
1-(2-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one | CHEMBL1222939
Type:
Small organic molecule
Emp. Form.:
C31H34ClN5O2
Mol. Mass.:
544.087
SMILES:
Clc1ccccc1Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
Structure:
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