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Target
Cytochrome P450 3A4
Ligand
BDBM50323096
Substrate
n/a
Meas. Tech.
ChEMBL_643713 (CHEMBL1212577)
IC50
3500±n/a nM
Citation
 Rheault, TR; Donaldson, KH; Badiang-Alberti, JG; Davis-Ward, RG; Andrews, CW; Bambal, R; Jackson, JR; Cheung, M Heteroaryl-linked 5-(1H-benzimidazol-1-yl)-2-thiophenecarboxamides: potent inhibitors of polo-like kinase 1 (PLK1) with improved drug-like properties. Bioorg Med Chem Lett 20:4587-92 (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:
BDBM50323096
Synonyms:
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(2-(methylsulfonyl)ethylamino)pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide | CHEMBL1208962
Type:
Small organic molecule
Emp. Form.:
C28H26ClN5O4S2
Mol. Mass.:
596.12
SMILES:
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCS(C)(=O)=O)c1)c1ccccc1Cl |r|
Structure:
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