Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50296987
Substrate
n/a
Meas. Tech.
ChEMBL_580964 (CHEMBL1054929)
IC50
>30000±n/a nM
Citation
Stearns, BA; Baccei, C; Bain, G; Broadhead, A; Clark, RC; Coate, H; Evans, JF; Fagan, P; Hutchinson, JH; King, C; Lee, C; Lorrain, DS; Prasit, P; Prodanovich, P; Santini, A; Scott, JM; Stock, NS; Truong, YP Novel tricyclic antagonists of the prostaglandin D2 receptor DP2 with efficacy in a murine model of allergic rhinitis. Bioorg Med Chem Lett 19:4647-51 (2009) [PubMed] Article
More Info.:
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:
BDBM50296987
Synonyms:
(R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[2,3-b]indolizin-10-yl)acetic acid | CHEMBL557117
Type:
Small organic molecule
Emp. Form.:
C20H20FN3O4S
Mol. Mass.:
417.454
SMILES:
CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|