Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50192927
Substrate
n/a
Meas. Tech.
ChEMBL_422300 (CHEMBL906990)
IC50
8100±n/a nM
Citation
 Nam, SJ; Ko, H; Shin, M; Ham, J; Chin, J; Kim, Y; Kim, H; Shin, K; Choi, H; Kang, H Farnesoid X-activated receptor antagonists from a marine sponge Spongia sp. Bioorg Med Chem Lett 16:5398-402 (2006) [PubMed]  Article 
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:
BDBM50192927
Synonyms:
CHEMBL373765 | acetic acid (1R,5bS,11aS,13R,13aS,13bS)-5b-acetoxymethyl-1-hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-2-oxa-cyclopenta[a]chrysen-13-yl ester
Type:
Small organic molecule
Emp. Form.:
C29H44O6
Mol. Mass.:
488.6561
SMILES:
CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](OC(C)=O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21 |c:34|
Structure:
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