Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50187673
Substrate
n/a
Meas. Tech.
ChEMBL_361243 (CHEMBL853273)
IC50
>30000±n/a nM
Citation
Li, H; Anderes, KL; Kraynov, EA; Luthin, DR; Do, QQ; Hong, Y; Tompkins, E; Sun, ET; Rajapakse, R; Pathak, VP; Christie, LC; Feng, J; Vazir, H; Castillo, R; Gregory, ML; Castro, M; Nared-Hood, K; Paderes, G; Anderson, MB Discovery of a novel, orally active, small molecule gonadotropin-releasing hormone (GnRH) receptor antagonist. J Med Chem 49:3362-7 (2006) [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:
BDBM50187673
Synonyms:
5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxylic Acid [4,6-dimethoxy-2-(3-morpholin-4-yl-propylamino)-pyrimidine-5-yl]-amide | CHEMBL210514
Type:
Small organic molecule
Emp. Form.:
C30H39N5O6
Mol. Mass.:
565.6606
SMILES:
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1