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Target
Cytochrome P450 3A4
Ligand
BDBM50583338
Substrate
n/a
Meas. Tech.
ChEMBL_2157144 (CHEMBL5041804)
IC50
500±n/a nM
Citation
 Chan, BK; Seward, E; Lainchbury, M; Brewer, TF; An, L; Blench, T; Cartwright, MW; Chan, GKY; Choo, EF; Drummond, J; Elliott, RL; Gancia, E; Gazzard, L; Hu, B; Jones, GE; Luo, X; Madin, A; Malhotra, S; Moffat, JG; Pang, J; Salphati, L; Sneeringer, CJ; Stivala, CE; Wei, B; Wang, W; Wu, P; Heffron, TP Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). ACS Med Chem Lett 13:84-91 (2022) [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:
BDBM50583338
Synonyms:
CHEMBL5088939
Type:
Small organic molecule
Emp. Form.:
C18H20N4O
Mol. Mass.:
308.3776
SMILES:
CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C
Structure:
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