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Target
Cytochrome P450 3A4
Ligand
BDBM50557766
Substrate
n/a
Meas. Tech.
ChEMBL_2059999 (CHEMBL4715000)
IC50
>10000±n/a nM
Citation
 Miwa, S; Yokota, M; Ueyama, Y; Maeda, K; Ogoshi, Y; Seki, N; Ogawa, N; Nishihata, J; Nomura, A; Adachi, T; Kitao, Y; Nozawa, K; Ishikawa, T; Ukaji, Y; Shiozaki, M Discovery of Selective Transforming Growth Factor ? Type II Receptor Inhibitors as Antifibrosis Agents. ACS Med Chem Lett 12:745-751 (2021) [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:
BDBM50557766
Synonyms:
CHEMBL4751832
Type:
Small organic molecule
Emp. Form.:
C23H26N6O3
Mol. Mass.:
434.4909
SMILES:
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
Structure:
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