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Target
Bile acid receptor
Ligand
BDBM50297949
Substrate
n/a
Meas. Tech.
ChEMBL_584608 (CHEMBL1059109)
EC50
1100±n/a nM
Citation
 Akwabi-Ameyaw, A; Bass, JY; Caldwell, RD; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; McFadyen, RB; Miller, AB; Navas, F; Parks, DJ; Spearing, PK; Todd, D; Williams, SP; Bruce Wisely, G FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg Med Chem Lett 19:4733-9 (2009) [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:
BDBM50297949
Synonyms:
3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoic acid | CHEMBL558662
Type:
Small organic molecule
Emp. Form.:
C29H24Cl2N2O5
Mol. Mass.:
551.417
SMILES:
CC(C)c1onc(c1COc1ccc2CN(C(=O)Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(14.29,6.81,;14.66,5.31,;13.56,4.24,;16.15,4.89,;17.38,5.8,;18.64,4.9,;18.17,3.43,;16.63,3.42,;15.87,2.09,;14.33,2.08,;13.57,.74,;14.34,-.58,;13.59,-1.92,;12.05,-1.92,;11.29,-3.26,;9.75,-3.27,;8.98,-1.94,;7.44,-1.95,;9.74,-.6,;11.26,-.6,;12.03,.74,;8.99,-4.61,;9.77,-5.93,;9.02,-7.27,;7.47,-7.28,;6.69,-5.95,;7.45,-4.61,;5.15,-5.95,;4.39,-7.29,;4.37,-4.62,;18.97,2.13,;20.5,2.17,;21.24,3.52,;21.31,.86,;20.57,-.51,;19.03,-.54,;18.23,.77,;16.69,.74,)|
Structure:
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