Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50600712
Substrate
n/a
Meas. Tech.
ChEMBL_2234710 (CHEMBL5148482)
EC50
57±n/a nM
Citation
 Nara, SJ; Jogi, S; Cheruku, S; Kandhasamy, S; Jaipuri, F; Kathi, PK; Reddy, S; Sarodaya, S; Cook, EM; Wang, T; Sitkoff, D; Rossi, KA; Ruzanov, M; Kiefer, SE; Khan, JA; Gao, M; Reddy, S; Sivaprasad Lvj, S; Sane, R; Mosure, K; Zhuo, X; Cao, GG; Ziegler, M; Azzara, A; Krupinski, J; Soars, MG; Ellsworth, BA; Wacker, DA Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem 65:8948-8960 (2022) [PubMed] 
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:
BDBM50600712
Synonyms:
CHEMBL5169696
Type:
Small organic molecule
Emp. Form.:
C29H37N3O4
Mol. Mass.:
491.6218
SMILES:
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(C)no1)C(=O)C1CCCCC1
Structure:
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