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PubMed code 27240466

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM21674
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
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 1.80E+4n/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Agonist activity at farnesoid x receptor(unknown origin)


Bioorg Med Chem 24: 3232-45 (2016)


Article DOI: 10.1016/j.bmc.2016.05.020
BindingDB Entry DOI: 10.7270/Q2GF0WDK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))
BDBM50178305
PNG
(ARCHAZOLID A)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |t:21,25,31,34,37,47,49|
Show InChI InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1
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Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Agonist activity at farnesoid x receptor(unknown origin)


Bioorg Med Chem 24: 3232-45 (2016)


Article DOI: 10.1016/j.bmc.2016.05.020
BindingDB Entry DOI: 10.7270/Q2GF0WDK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%