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Target
Cytochrome P450 3A4
Ligand
BDBM50334593
Substrate
n/a
Meas. Tech.
ChEMBL_698985 (CHEMBL1646089)
IC50
2000±n/a nM
Citation
 Mesaros, EF; Burke, JP; Parrish, JD; Dugan, BJ; Anzalone, AV; Angeles, TS; Albom, MS; Aimone, LD; Quail, MR; Wan, W; Lu, L; Huang, Z; Ator, MA; Ruggeri, BA; Cheng, M; Ott, GR; Dorsey, BD Novel 2,3,4,5-tetrahydro-benzo[d]azepine derivatives of 2,4-diaminopyrimidine, selective and orally bioavailable ALK inhibitors with antitumor efficacy in ALCL mouse models. Bioorg Med Chem Lett 21:463-6 (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:
BDBM50334593
Synonyms:
2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)pyrimidin-2-ylamino)-8-methoxy-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-N,N-dimethylacetamide | CHEMBL1642258
Type:
Small organic molecule
Emp. Form.:
C30H38ClN7O4
Mol. Mass.:
596.12
SMILES:
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Structure:
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