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Target
Cytochrome P450 3A4
Ligand
BDBM50197898
Substrate
n/a
Meas. Tech.
ChEMBL_544163 (CHEMBL1014227)
IC50
89000±n/a nM
Citation
 Hall, A; Brown, SH; Budd, C; Clayton, NM; Giblin, GM; Goldsmith, P; Hayhow, TG; Hurst, DN; Naylor, A; Anthony Rawlings, D; Scoccitti, T; Wilson, AW; Winchester, WJ Discovery of GSK345931A: An EP(1) receptor antagonist with efficacy in preclinical models of inflammatory pain. Bioorg Med Chem Lett 19:497-501 (2008) [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:
BDBM50197898
Synonyms:
6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyclopent-1-enyl)picolinic acid | 6-(2-(5-chloro-2-(2,4-difluorobenzyloxy)phenyl)cyclopent-1-enyl)picolinic acid | CHEMBL234940
Type:
Small organic molecule
Emp. Form.:
C24H18ClF2NO3
Mol. Mass.:
441.854
SMILES:
OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10|
Structure:
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