Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50203881
Substrate
n/a
Meas. Tech.
ChEMBL_425779 (CHEMBL855761)
IC50
>10000±n/a nM
Citation
 Jenkins, TJ; Guan, B; Dai, M; Li, G; Lightburn, TE; Huang, S; Freeze, BS; Burdi, DF; Jacutin-Porte, S; Bennett, R; Chen, W; Minor, C; Ghosh, S; Blackburn, C; Gigstad, KM; Jones, M; Kolbeck, R; Yin, W; Smith, S; Cardillo, D; Ocain, TD; Harriman, GC Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem 50:566-84 (2007) [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:
BDBM50203881
Synonyms:
4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid ethyl ester | CHEMBL218375
Type:
Small organic molecule
Emp. Form.:
C26H29N3O5S
Mol. Mass.:
495.591
SMILES:
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Structure:
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