Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM465471
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
0.251±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 
Target
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:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM465471
Synonyms:
US10793568, Compound I-122
Type:
Small organic molecule
Emp. Form.:
C26H22Cl2F2N2O4
Mol. Mass.:
535.367
SMILES:
OC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:16.19,12.13,wD:14.14,THB:6:10:16.15:13,17:16:11.10:13,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,)|
Structure:
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