Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50169438
Substrate
n/a
Meas. Tech.
ChEMBL_1578010 (CHEMBL3806759)
IC50
>10000±n/a nM
Citation
 Focken, T; Liu, S; Chahal, N; Dauphinais, M; Grimwood, ME; Chowdhury, S; Hemeon, I; Bichler, P; Bogucki, D; Waldbrook, M; Bankar, G; Sojo, LE; Young, C; Lin, S; Shuart, N; Kwan, R; Pang, J; Chang, JH; Safina, BS; Sutherlin, DP; Johnson, JP; Dehnhardt, CM; Mansour, TS; Oballa, RM; Cohen, CJ; Robinette, CL Discovery of Aryl Sulfonamides as Isoform-Selective Inhibitors of NaV1.7 with Efficacy in Rodent Pain Models. ACS Med Chem Lett 7:277-82 (2016) [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:
BDBM50169438
Synonyms:
CHEMBL3804898 | US9481677, 63
Type:
Small organic molecule
Emp. Form.:
C23H14ClF2N5O4S
Mol. Mass.:
529.903
SMILES:
Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1
Structure:
Search PDB for entries with ligand similarity: