Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50315206
Substrate
n/a
Meas. Tech.
ChEMBL_625167 (CHEMBL1115188)
IC50
>10000±n/a nM
Citation
 Li, BF; Moree, WJ; Yu, J; Coon, T; Zamani-Kord, S; Malany, S; Jalali, K; Wen, J; Wang, H; Yang, C; Hoare, SR; Petroski, RE; Madan, A; Crowe, PD; Beaton, G Selectivity profiling of novel indene H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 20:2629-33 (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:
BDBM50315206
Synonyms:
(R)-2-(6-fluoro-3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)-N,N-dimethylethanamine | CHEMBL1090527
Type:
Small organic molecule
Emp. Form.:
C18H21FN2S
Mol. Mass.:
316.436
SMILES:
C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|
Structure:
Search PDB for entries with ligand similarity: