Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM408887
Substrate
n/a
Meas. Tech.
In Vitro FXR Assay (TK)
EC50
<1000±n/a nM
Citation
Smith, ND; Govek, SP Farnesoid X receptor agonists and uses thereof US Patent US10377717 Publication Date 8/13/2019
More Info.:
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:
BDBM408887
Synonyms:
(E)-Methyl 3-(2-(N-((trans-4-(4-methoxy-3-methylphenyl)cyclohexyl)methyl)cyclohexanecarboxamido)pyridin-4-yl)acrylate | US10377717, Compound 18
Type:
Small organic molecule
Emp. Form.:
C31H40N2O4
Mol. Mass.:
504.6603
SMILES:
COC(=O)\C=C\c1ccnc(c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)C1CCCCC1 |r,wU:17.21,wD:14.14,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-7.34,-.38,;-8.67,.39,;-6,.38,;3.33,2.69,;3.33,4.23,;4.67,1.93,;4.67,.38,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,)|