Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM93624
Substrate
n/a
Meas. Tech.
ChEMBL_700827 (CHEMBL1646221)
IC50
600±n/a nM
Citation
 Manning, DD; Cioffi, CL; Usyatinsky, A; Fitzpatrick, K; Masih, L; Guo, C; Zhang, Z; Choo, SH; Sikkander, MI; Ryan, KN; Naginskaya, J; Hassler, C; Dobritsa, S; Wierschke, JD; Earley, WG; Butler, AS; Brady, CA; Barnes, NM; Cohen, ML; Guzzo, PR Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome. Bioorg Med Chem Lett 21:58-61 (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:
BDBM93624
Synonyms:
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrid[4,3-b]indol-1-one;hydrochloride | 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride | ALOSETRON | ALOSETRON HCl | MLS001401464 | SMR000469211 | cid_60758
Type:
Small organic molecule
Emp. Form.:
C17H18N4O
Mol. Mass.:
294.351
SMILES:
Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C
Structure:
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