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Compile Data Set for Download or QSAR

Found 1 hit with Last Name = 'afonyushkin' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor FXR


(Homo sapiens (human))
BDBM21674
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
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Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at FXR


Bioorg Med Chem 19: 6779-91 (2011)


Article DOI: 10.1016/j.bmc.2011.09.039
BindingDB Entry DOI: 10.7270/Q2KW5GFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)