Target
Cytochrome P450 3A4
Ligand
BDBM50380667
Substrate
n/a
Meas. Tech.
ChEMBL_813216 (CHEMBL2020948)
IC50
2000±n/a nM
Citation
 Mirguet, OLamotte, YDonche, FToum, JGellibert, FBouillot, AGosmini, RNguyen, VLDelannée, DSeal, JBlandel, FBoullay, ABBoursier, EMartin, SBrusq, JMKrysa, GRiou, ATellier, RCostaz, AHuet, PDudit, YTrottet, LKirilovsky, JNicodeme, E From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151. Bioorg Med Chem Lett 22:2963-7 (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:
BDBM50380667
Synonyms:
CHEMBL2017268
Type:
Small organic molecule
Emp. Form.:
C25H26N4O2
Mol. Mass.:
414.4995
SMILES:
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O
Structure:
Search PDB for entries with ligand similarity: