Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50401549
Substrate
n/a
Meas. Tech.
ChEMBL_882150 (CHEMBL2214982)
IC50
3981.07±n/a nM
Citation
 Smethurst, CA; Bevan, N; Brooks, C; Emmons, A; Gough, PJ; Mookherjee, C; Moores, K; Peace, S; Philp, J; Piercy, V; Watson, SP; Zippoli, M In vivo activity of an azole series of CCR2 antagonists. Bioorg Med Chem Lett 22:7252-5 (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:
BDBM50401549
Synonyms:
CHEMBL2207081
Type:
Small organic molecule
Emp. Form.:
C15H11Cl3N4O2S
Mol. Mass.:
417.697
SMILES:
Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Structure:
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