Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM26261
Substrate
BDBM212445
Meas. Tech.
In Vitro CYP Inhibition Assay
Temperature
310.15±n/a K
IC50
>2.0e+4±n/a nM
Comments
extracted
Citation
 Dalton, JT; Miller, DD; Kearbey, JD SARMs and method of use thereof US Patent  US9278914 Publication Date 3/8/2016 
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:
BDBM26261
Synonyms:
(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | C-31 | CHEMBL512283 | US9278914, S-II
Type:
Small organic molecule
Emp. Form.:
C18H13ClF4N2O3
Mol. Mass.:
416.754
SMILES:
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Structure:
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Substrate
Name:
BDBM212445
Synonyms:
US9278914, BFC
Type:
Substrate
Emp. Form.:
C17H11F3O3
Mol. Mass.:
320.2626
SMILES:
FC(F)(F)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Structure:
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