Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM465575 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
EC50 | 0.316±n/a nM | ||
Citation | Chao, J; Jain, R; Hu, L; Lewis, JG; Baribault, H; Caldwell, J Hormone receptor modulators for treating metabolic conditions and disorders US Patent US10793568 Publication Date 10/6/2020 | ||
More Info.: | Get all data from this article, Assay Method | ||
Bile acid receptor | |||
Name: | Bile acid receptor | ||
Synonyms: | BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor | ||
Type: | Nuclear Receptor | ||
Mol. Mass.: | 55916.24 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q96RI1 | ||
Residue: | 486 | ||
Sequence: |
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BDBM465575 | |||
n/a | |||
Name | BDBM465575 | ||
Synonyms: | US10793568, Compound I-225 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H49Cl2FN4O7S | ||
Mol. Mass. | 807.798 | ||
SMILES | COCC(=O)NCCCCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:32.34,28.28,wD:30.29,THB:33:32:27.26:29,25:26:32.31:29,(1.46,-32.03,;.96,-30.57,;1.98,-29.41,;1.48,-27.96,;-.04,-27.66,;2.49,-26.8,;1.99,-25.34,;3,-24.18,;2.5,-22.72,;3.51,-21.56,;3.01,-20.1,;4.02,-18.94,;3.53,-17.49,;4.54,-16.33,;4.04,-14.87,;5.05,-13.71,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;4.05,-10.79,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.42,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.92,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)| | ||
Structure |