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Patent code US10138228

Compile Data Set for Download or QSAR
Found 4 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))
BDBM303498
PNG
(US10138228, Example 3)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc(CN(C)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C30H28Cl2F3N5O5S/c1-39(2)46(42,43)38-29(41)19-9-7-17(8-10-19)15-40(3)23-13-14-24(36-28(23)30(33,34)35)44-16-20-26(37-45-27(20)18-11-12-18)25-21(31)5-4-6-22(25)32/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,38,41)
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US Patent
n/an/an/an/a<100n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10138228 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM303496
PNG
(US10138228, Example 1)
Show SMILES CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C31H27Cl2F3N4O5S/c1-40(15-17-5-7-19(8-6-17)30(41)39-46(42,43)20-11-12-20)24-13-14-25(37-29(24)31(34,35)36)44-16-21-27(38-45-28(21)18-9-10-18)26-22(32)3-2-4-23(26)33/h2-8,13-14,18,20H,9-12,15-16H2,1H3,(H,39,41)
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US Patent
n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10138228 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM303497
PNG
(US10138228, Example 2)
Show SMILES CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C38H35Cl2F3N4O5S/c1-37(2,3)25-14-16-26(17-15-25)53(49,50)46-36(48)24-10-8-22(9-11-24)20-47(4)30-18-19-31(44-35(30)38(41,42)43)51-21-27-33(45-52-34(27)23-12-13-23)32-28(39)6-5-7-29(32)40/h5-11,14-19,23H,12-13,20-21H2,1-4H3,(H,46,48)
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n/an/an/an/a 5.50E+3n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10138228 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(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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Similars

DrugBank
PDB
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10138228 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%