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Target
Cytochrome P450 3A4
Ligand
BDBM50374718
Substrate
n/a
Meas. Tech.
ChEMBL_469873 (CHEMBL949198)
IC50
>40000±n/a nM
Citation
 Cai, ZW; Wei, D; Borzilleri, RM; Qian, L; Kamath, A; Mortillo, S; Wautlet, B; Henley, BJ; Jeyaseelan, R; Tokarski, J; Hunt, JT; Bhide, RS; Fargnoli, J; Lombardo, LJ Synthesis, SAR, and Evaluation of 4-[2,4-Difluoro-5-(cyclopropylcarbamoyl)phenylamino]pyrrolo[2,1-f][1,2,4]triazine-based VEGFR-2 kinase inhibitors. Bioorg Med Chem Lett 18:1354-8 (2008) [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:
BDBM50374718
Synonyms:
CHEMBL271087
Type:
Small organic molecule
Emp. Form.:
C25H29F2N9O2
Mol. Mass.:
525.5537
SMILES:
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCC(C)(C)N)o1
Structure:
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