Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM465538 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
EC50 | 0.631±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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BDBM465538 | |||
n/a | |||
Name | BDBM465538 | ||
Synonyms: | US10793568, Compound I-187 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H36Cl2N4O5S | ||
Mol. Mass. | 659.623 | ||
SMILES | CN1CCC(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:25.29,21.23,wD:23.24,THB:26:25:20.19:22,16:19:25.24:22,(9.07,-17.21,;8.57,-15.76,;9.58,-14.6,;9.08,-13.14,;7.57,-12.84,;6.56,-14,;7.06,-15.46,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.79,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.42,;3.05,-7.88,;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,-2.93,;-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,)| | ||
Structure |