Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM465473
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
0.200±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:
BDBM465473
Synonyms:
US10793568, Compound I-124
Type:
Small organic molecule
Emp. Form.:
C27H25ClF2N2O4
Mol. Mass.:
514.948
SMILES:
Cc1cccc(Cl)c1-c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1)C1(F)CC1 |wU:15.16,19.20,wD:17.19,TLB:22:21:15.16:18,14:15:20.21:18,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,)|
Structure:
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