Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50302905
Substrate
n/a
Meas. Tech.
ChEMBL_595637 (CHEMBL1038132)
IC50
>50000±n/a nM
Citation
 Boezio, AA; Berry, L; Albrecht, BK; Bauer, D; Bellon, SF; Bode, C; Chen, A; Choquette, D; Dussault, I; Fang, M; Hirai, S; Kaplan-Lefko, P; Larrow, JF; Lin, MH; Lohman, J; Potashman, MH; Qu, Y; Rex, K; Santostefano, M; Shah, K; Shimanovich, R; Springer, SK; Teffera, Y; Yang, Y; Zhang, Y; Harmange, JC Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors. Bioorg Med Chem Lett 19:6307-12 (2009) [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:
BDBM50302905
Synonyms:
7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine | CHEMBL566685 | US9066954, 4
Type:
Small organic molecule
Emp. Form.:
C19H16N8OS
Mol. Mass.:
404.448
SMILES:
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Structure:
Search PDB for entries with ligand similarity: