Reaction Details | |||
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Target | Cytochrome P450 3A4 | ||
Ligand | BDBM50154358 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1560508 (CHEMBL3776780) | ||
IC50 | 26139±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 3A4 | |||
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: |
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BDBM50154358 | |||
n/a | |||
Name | BDBM50154358 | ||
Synonyms: | CHEMBL3774852 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H25FN2O3 | ||
Mol. Mass. | 456.5081 | ||
SMILES | C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21 |(-8.11,-5.82,;-7.33,-6.77,;-7.71,-7.95,;-6.31,-7.93,;-4.8,-7.72,;-4.32,-6.26,;-5.33,-5.09,;-6.81,-5.34,;-3.66,-7.61,;-4.28,-8.67,;-2.15,-7.51,;-1.85,-6.02,;-.49,-5.27,;-.46,-3.7,;.88,-2.95,;.89,-1.41,;-.48,-.72,;-1.65,-1.74,;-3.13,-1.26,;-3.43,.19,;-2.28,1.22,;-.82,.76,;.17,2,;1.73,1.96,;2.65,.75,;4.13,1.16,;5.24,.07,;6.42,.4,;4.89,-1.36,;3.39,-1.84,;2.28,-.76,;-1.82,-2.91,;-3.2,-3.7,;-3.18,-5.26,)| | ||
Structure | ![]() |