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Target
Cytochrome P450 3A4
Ligand
BDBM50418818
Substrate
n/a
Meas. Tech.
ChEMBL_1460848 (CHEMBL3396505)
IC50
1000±n/a nM
Citation
 Cumming, JG; Debreczeni, JÉ; Edfeldt, F; Evertsson, E; Harrison, M; Holdgate, GA; James, MJ; Lamont, SG; Oldham, K; Sullivan, JE; Wells, SL Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors. J Med Chem 58:278-93 (2015) [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:
BDBM50418818
Synonyms:
CHEMBL1796293
Type:
Small organic molecule
Emp. Form.:
C20H15N3O2
Mol. Mass.:
329.352
SMILES:
O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Structure:
Search PDB for entries with ligand similarity: