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Target
Cytochrome P450 3A4
Ligand
BDBM99537
Substrate
n/a
Meas. Tech.
ChEMBL_833037 (CHEMBL2067176)
IC50
11000±n/a nM
Citation
 Dugan, BJ; Gingrich, DE; Mesaros, EF; Milkiewicz, KL; Curry, MA; Zulli, AL; Dobrzanski, P; Serdikoff, C; Jan, M; Angeles, TS; Albom, MS; Mason, JL; Aimone, LD; Meyer, SL; Huang, Z; Wells-Knecht, KJ; Ator, MA; Ruggeri, BA; Dorsey, BD A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779. J Med Chem 55:5243-54 (2012) [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:
BDBM99537
Synonyms:
CHEMBL2062804 | US8501936, 35
Type:
Small organic molecule
Emp. Form.:
C24H26N6O2S
Mol. Mass.:
462.567
SMILES:
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Structure:
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