Reaction Details | |||
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Target | Nuclear receptor subfamily 1 group I member 2 | ||
Ligand | BDBM50609808 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2279567 | ||
IC50 | 1440±n/a nM | ||
Citation | Li, Y; Lin, W; Chai, SC; Wu, J; Annu, K; Chen, T Design and Optimization of 1 J Med Chem65:16829-16859 (2022) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Nuclear receptor subfamily 1 group I member 2 | |||
Name: | Nuclear receptor subfamily 1 group I member 2 | ||
Synonyms: | NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic receptor | nuclear receptor subfamily 1 group I member 2 isoform 1 | ||
Type: | Nuclear receptor | ||
Mol. Mass.: | 49774.77 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O75469 | ||
Residue: | 434 | ||
Sequence: |
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BDBM50609808 | |||
n/a | |||
Name | BDBM50609808 | ||
Synonyms: | CHEMBL5287237 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H34N4O4 | ||
Mol. Mass. | 466.5726 | ||
SMILES | CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1c(OC)cccc1OC)C(C)(C)C |(-1.78,-5.91,;-1.01,-4.57,;.53,-4.57,;1.3,-3.24,;2.84,-3.24,;3.61,-1.9,;5.15,-1.9,;5.91,-.57,;5.14,.77,;3.6,.77,;2.83,-.57,;1.29,-.57,;.52,.77,;1.29,2.1,;-1.02,.77,;-1.79,-.56,;-3.29,-.24,;-3.45,1.29,;-2.05,1.91,;-1.65,3.4,;-4.79,2.06,;-6.11,1.29,;-6.11,-.25,;-4.78,-1.02,;-7.45,2.05,;-7.45,3.6,;-6.12,4.36,;-4.79,3.6,;-3.45,4.37,;-3.45,5.91,;5.91,2.1,;5.14,3.43,;7.45,2.1,;6.68,3.43,)| | ||
Structure |