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Target
Cytochrome P450 3A4
Ligand
BDBM50207872
Substrate
n/a
Meas. Tech.
ChEMBL_438520 (CHEMBL886493)
IC50
35±n/a nM
Citation
 Rowbottom, MW; Vickers, TD; Tamiya, J; Zhang, M; Dyck, B; Grey, J; Schwarz, D; Heise, CE; Hedrick, M; Wen, J; Tang, H; Wang, H; Fisher, A; Aparicio, A; Saunders, J; Goodfellow, VS Synthesis and structure-activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1). Bioorg Med Chem Lett 17:2171-8 (2007) [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:
BDBM50207872
Synonyms:
1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-(3-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione | CHEMBL230080
Type:
Small organic molecule
Emp. Form.:
C31H30FN5O3
Mol. Mass.:
539.6
SMILES:
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O
Structure:
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