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Target
Cytochrome P450 3A4
Ligand
BDBM50253104
Substrate
n/a
Meas. Tech.
ChEMBL_539794 (CHEMBL1035787)
IC50
>25000±n/a nM
Citation
 Pettus, LH; Xu, S; Cao, GQ; Chakrabarti, PP; Rzasa, RM; Sham, K; Wurz, RP; Zhang, D; Middleton, S; Henkle, B; Plant, MH; Saris, CJ; Sherman, L; Wong, LM; Powers, DA; Tudor, Y; Yu, V; Lee, MR; Syed, R; Hsieh, F; Tasker, AS 3-amino-7-phthalazinylbenzoisoxazoles as a novel class of potent, selective, and orally available inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem 51:6280-92 (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:
BDBM50253104
Synonyms:
CHEMBL521860 | N-(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6-yl)-benzo[d]isoxazol-3-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3
Mol. Mass.:
417.4604
SMILES:
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r|
Structure:
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