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Target
Cytochrome P450 3A4
Ligand
BDBM50186624
Substrate
n/a
Meas. Tech.
ChEMBL_353252 (CHEMBL861848)
IC50
>30000±n/a nM
Citation
 Morwick, T; Berry, A; Brickwood, J; Cardozo, M; Catron, K; DeTuri, M; Emeigh, J; Homon, C; Hrapchak, M; Jacober, S; Jakes, S; Kaplita, P; Kelly, TA; Ksiazek, J; Liuzzi, M; Magolda, R; Mao, C; Marshall, D; McNeil, D; Prokopowicz, A; Sarko, C; Scouten, E; Sledziona, C; Sun, S; Watrous, J; Wu, JP; Cywin, CL Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem 49:2898-908 (2006) [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:
BDBM50186624
Synonyms:
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide | CHEMBL377085
Type:
Small organic molecule
Emp. Form.:
C10H11N3OS
Mol. Mass.:
221.279
SMILES:
Cc1cc(C)c2c(N)c(sc2n1)C(N)=O
Structure:
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