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Target
Cytochrome P450 3A4
Ligand
BDBM50306159
Substrate
n/a
Meas. Tech.
ChEMBL_606336 (CHEMBL1071990)
IC50
790±n/a nM
Citation
 Lin, H; Yamashita, DS; Xie, R; Zeng, J; Wang, W; Leber, J; Safonov, IG; Verma, S; Li, M; Lafrance, L; Venslavsky, J; Takata, D; Luengo, JI; Kahana, JA; Zhang, S; Robell, KA; Levy, D; Kumar, R; Choudhry, AE; Schaber, M; Lai, Z; Brown, BS; Donovan, BT; Minthorn, EA; Brown, KK; Heerding, DA Tetrasubstituted pyridines as potent and selective AKT inhibitors: Reduced CYP450 and hERG inhibition of aminopyridines. Bioorg Med Chem Lett 20:684-8 (2010) [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:
BDBM50306159
Synonyms:
(S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)picolinonitrile | CHEMBL606467
Type:
Small organic molecule
Emp. Form.:
C27H22N8O2
Mol. Mass.:
490.516
SMILES:
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r|
Structure:
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