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Target
Cytochrome P450 3A4
Ligand
BDBM19428
Substrate
n/a
Meas. Tech.
ChEMBL_759505 (CHEMBL1810946)
IC50
14000±n/a nM
Citation
 Shultz, M; Fan, J; Chen, C; Cho, YS; Davis, N; Bickford, S; Buteau, K; Cao, X; Holmqvist, M; Hsu, M; Jiang, L; Liu, G; Lu, Q; Patel, C; Suresh, JR; Selvaraj, M; Urban, L; Wang, P; Yan-Neale, Y; Whitehead, L; Zhang, H; Zhou, L; Atadja, P The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors. Bioorg Med Chem Lett 21:4909-12 (2011) [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:
BDBM19428
Synonyms:
(2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl}phenyl)prop-2-enamide | (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide | CHEMBL356066 | Dacinostat | LAQ-824 | NVP-LAQ824
Type:
Small organic molecule
Emp. Form.:
C22H25N3O3
Mol. Mass.:
379.4522
SMILES:
OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Structure:
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