Reaction Details | |||
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Target | Cytochrome P450 3A4 | ||
Ligand | BDBM143373 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1870804 (CHEMBL4371971) | ||
IC50 | >13±n/a nM | ||
Citation | Bhuniya, D; Kharul, RK; Hajare, A; Shaikh, N; Bhosale, S; Balwe, S; Begum, F; De, S; Athavankar, S; Joshi, D; Madgula, V; Joshi, K; Raje, AA; Meru, AV; Magdum, A; Mookhtiar, KA; Barbhaiya, R Discovery and evaluation of novel FAAH inhibitors in neuropathic pain model. Bioorg Med Chem Lett29:238-243 (2019) [PubMed] Article | ||
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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BDBM143373 | |||
n/a | |||
Name | BDBM143373 | ||
Synonyms: | US9682953, 20.A-10 | US9682953, 20.A-9 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H22F3N5O2 | ||
Mol. Mass. | 469.459 | ||
SMILES | Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| | ||
Structure |