Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50334249
Substrate
n/a
Meas. Tech.
ChEMBL_699595 (CHEMBL1647953)
IC50
4770±n/a nM
Citation
 Nirogi, RV; Deshpande, AD; Kambhampati, R; Badange, RK; Kota, L; Daulatabad, AV; Shinde, AK; Ahmad, I; Kandikere, V; Jayarajan, P; Dubey, PK Indole-3-piperazinyl derivatives: novel chemical class of 5-HT(6) receptor antagonists. Bioorg Med Chem Lett 21:346-9 (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:
BDBM50334249
Synonyms:
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1H-indole | CHEMBL1642413
Type:
Small organic molecule
Emp. Form.:
C19H20FN3O2S
Mol. Mass.:
373.444
SMILES:
CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: