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Compile Data Set for Download or QSAR

Found 257 hits of Enz. Inhib. data with enzyme = 'Bile acid receptor' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM384545
PNG
(2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H25Cl2FN2O6S/c30-19-2-1-3-20(31)23(19)24-18(26(40-34-24)13-4-5-13)12-39-17-8-15-10-38-11-16(9-17)29(15,37)28-33-25-21(32)6-14(27(35)36)7-22(25)41-28/h1-3,6-7,13,15-17,37H,4-5,8-12H2,(H,35,36)
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n/an/a 19n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand bindin...


US Patent US9932332 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM384546
PNG
(2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccc2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H26Cl2N2O6S/c30-20-2-1-3-21(31)24(20)25-19(26(39-33-25)14-4-5-14)13-38-18-9-16-11-37-12-17(10-18)29(16,36)28-32-22-7-6-15(27(34)35)8-23(22)40-28/h1-3,6-8,14,16-18,36H,4-5,9-13H2,(H,34,35)
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n/an/a 30n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand bindin...


US Patent US9932332 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM379113
PNG
(US10266560, Example CDCA | US10323060, Example CDC...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[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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n/an/an/an/a>1.00E+4n/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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399987
PNG
(US10323060, Example 6 | US10323060, Example 6-ECDC...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5c(cccc5o4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H47NO5/c1-6-20-25-17-19(35)12-14-33(25,4)24-13-15-32(3)22(10-11-23(32)28(24)30(20)36)18(2)16-27-34-29-21(31(37)38-5)8-7-9-26(29)39-27/h7-9,18-20,22-25,28,30,35-36H,6,10-17H2,1-5H3/t18-,19-,20-,22-,23+,24+,25+,28+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399988
PNG
(US10323060, Example 1 | US10323060, Example 2)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-6-24-29-20-23(35)16-18-34(29,4)28-17-19-33(3)26(14-15-27(33)30(28)31(24)36)21(2)10-9-12-22-11-7-8-13-25(22)32(37)38-5/h7-9,11-13,21,23-24,26-31,35-36H,6,10,14-20H2,1-5H3/b12-9+/t21-,23-,24-,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399988
PNG
(US10323060, Example 1 | US10323060, Example 2)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-6-24-29-20-23(35)16-18-34(29,4)28-17-19-33(3)26(14-15-27(33)30(28)31(24)36)21(2)10-9-12-22-11-7-8-13-25(22)32(37)38-5/h7-9,11-13,21,23-24,26-31,35-36H,6,10,14-20H2,1-5H3/b12-9+/t21-,23-,24-,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399990
PNG
(US10323060, Example 3)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H50O4/c1-5-23-28-19-22(34)15-17-33(28,4)27-16-18-32(3)25(13-14-26(32)29(27)30(23)35)20(2)9-8-11-21-10-6-7-12-24(21)31(36)37/h6-7,10,12,20,22-23,25-30,34-35H,5,8-9,11,13-19H2,1-4H3,(H,36,37)/t20-,22-,23-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399991
PNG
(US10323060, Example 4)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC=Cc4cc(F)c(O)c(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C32H46F2O3/c1-5-21-25-17-20(35)11-13-32(25,4)24-12-14-31(3)22(9-10-23(31)28(24)29(21)36)18(2)7-6-8-19-15-26(33)30(37)27(34)16-19/h6,8,15-16,18,20-25,28-29,35-37H,5,7,9-14,17H2,1-4H3/t18-,20-,21-,22-,23+,24+,25+,28+,29-,31-,32-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399992
PNG
(US10323060, Example 5)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4cc(F)c(O)c(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C32H48F2O3/c1-5-21-25-17-20(35)11-13-32(25,4)24-12-14-31(3)22(9-10-23(31)28(24)29(21)36)18(2)7-6-8-19-15-26(33)30(37)27(34)16-19/h15-16,18,20-25,28-29,35-37H,5-14,17H2,1-4H3/t18-,20-,21-,22-,23+,24+,25+,28+,29-,31-,32-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399987
PNG
(US10323060, Example 6 | US10323060, Example 6-ECDC...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5c(cccc5o4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H47NO5/c1-6-20-25-17-19(35)12-14-33(25,4)24-13-15-32(3)22(10-11-23(32)28(24)30(20)36)18(2)16-27-34-29-21(31(37)38-5)8-7-9-26(29)39-27/h7-9,18-20,22-25,28,30,35-36H,6,10-17H2,1-5H3/t18-,19-,20-,22-,23+,24+,25+,28+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399987
PNG
(US10323060, Example 6 | US10323060, Example 6-ECDC...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5c(cccc5o4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H47NO5/c1-6-20-25-17-19(35)12-14-33(25,4)24-13-15-32(3)22(10-11-23(32)28(24)30(20)36)18(2)16-27-34-29-21(31(37)38-5)8-7-9-26(29)39-27/h7-9,18-20,22-25,28,30,35-36H,6,10-17H2,1-5H3/t18-,19-,20-,22-,23+,24+,25+,28+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399995
PNG
(US10323060, Example 8)
Show SMILES CCOC(=O)Cc1nnn(CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1
Show InChI InChI=1S/C31H52N4O4/c1-6-21-25-17-20(36)12-14-31(25,5)24-13-15-30(4)22(10-11-23(30)28(24)29(21)38)19(3)9-8-16-35-33-26(32-34-35)18-27(37)39-7-2/h19-25,28-29,36,38H,6-18H2,1-5H3/t19-,20-,21-,22-,23+,24+,25+,28+,29-,30-,31-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399996
PNG
(US10323060, Example 9)
Show SMILES CCOC(=O)Cc1nnnn1CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C31H52N4O4/c1-6-21-25-17-20(36)12-14-31(25,5)24-13-15-30(4)22(10-11-23(30)28(24)29(21)38)19(3)9-8-16-35-26(32-33-34-35)18-27(37)39-7-2/h19-25,28-29,36,38H,6-18H2,1-5H3/t19-,20-,21-,22-,23+,24+,25+,28+,29-,30-,31-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399997
PNG
(US10323060, Example 10)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-5-22-29-18-21(35)12-14-34(29,4)28-13-15-33(3)26(10-11-27(33)30(28)31(22)36)19(2)16-20-17-25(20)23-8-6-7-9-24(23)32(37)38/h6-9,19-22,25-31,35-36H,5,10-18H2,1-4H3,(H,37,38)/t19-,20?,21-,22-,25?,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399998
PNG
(US10323060, Example 11)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOc4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C32H48O5/c1-5-21-26-18-20(33)12-15-32(26,4)25-13-16-31(3)23(10-11-24(31)28(25)29(21)34)19(2)14-17-37-27-9-7-6-8-22(27)30(35)36/h6-9,19-21,23-26,28-29,33-34H,5,10-18H2,1-4H3,(H,35,36)/t19-,20-,21-,23-,24+,25+,26+,28+,29-,31-,32-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM399999
PNG
(US10323060, Example 12)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(C(=O)OC)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O5/c1-6-23-28-19-22(35)14-16-34(28,4)27-15-17-33(3)25(12-13-26(33)30(27)31(23)37)20(2)8-7-9-21-10-11-24(29(36)18-21)32(38)39-5/h7,9-11,18,20,22-23,25-28,30-31,35-37H,6,8,12-17,19H2,1-5H3/b9-7+/t20-,22-,23-,25-,26+,27+,28+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400000
PNG
(US10323060, Example 13)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(C(O)=O)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H48O5/c1-5-22-27-18-21(34)13-15-33(27,4)26-14-16-32(3)24(11-12-25(32)29(26)30(22)36)19(2)7-6-8-20-9-10-23(31(37)38)28(35)17-20/h6,8-10,17,19,21-22,24-27,29-30,34-36H,5,7,11-16,18H2,1-4H3,(H,37,38)/b8-6+/t19-,21-,22-,24-,25+,26+,27+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400001
PNG
(US10323060, Example 14)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(C(O)=O)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H50O5/c1-5-22-27-18-21(34)13-15-33(27,4)26-14-16-32(3)24(11-12-25(32)29(26)30(22)36)19(2)7-6-8-20-9-10-23(31(37)38)28(35)17-20/h9-10,17,19,21-22,24-27,29-30,34-36H,5-8,11-16,18H2,1-4H3,(H,37,38)/t19-,21-,22-,24-,25+,26+,27+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400002
PNG
(US10323060, Example 15)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(C)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C36H54O4/c1-7-27-31-21-26(37)17-19-36(31,5)30-18-20-35(4)28(15-16-29(35)32(30)33(27)38)22(2)9-8-10-24-11-13-25(14-12-24)23(3)34(39)40-6/h8,10-14,22-23,26-33,37-38H,7,9,15-21H2,1-6H3/b10-8+/t22-,23?,26-,27-,28-,29+,30+,31+,32+,33-,35-,36-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400003
PNG
(US10323060, Example 16)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(C)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C35H52O4/c1-6-26-30-20-25(36)16-18-35(30,5)29-17-19-34(4)27(14-15-28(34)31(29)32(26)37)21(2)8-7-9-23-10-12-24(13-11-23)22(3)33(38)39/h7,9-13,21-22,25-32,36-37H,6,8,14-20H2,1-5H3,(H,38,39)/b9-7+/t21-,22?,25-,26-,27-,28+,29+,30+,31+,32-,34-,35-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400004
PNG
(US10323060, Example 17)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(cc4)C(C)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C35H54O4/c1-6-26-30-20-25(36)16-18-35(30,5)29-17-19-34(4)27(14-15-28(34)31(29)32(26)37)21(2)8-7-9-23-10-12-24(13-11-23)22(3)33(38)39/h10-13,21-22,25-32,36-37H,6-9,14-20H2,1-5H3,(H,38,39)/t21-,22?,25-,26-,27-,28+,29+,30+,31+,32-,34-,35-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400005
PNG
(US10323060, Example 18)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-6-25-29-20-24(35)16-18-34(29,4)28-17-19-33(3)26(14-15-27(33)30(28)31(25)36)21(2)8-7-9-22-10-12-23(13-11-22)32(37)38-5/h7,9-13,21,24-31,35-36H,6,8,14-20H2,1-5H3/b9-7+/t21-,24-,25-,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400006
PNG
(US10323060, Example 19)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H48O4/c1-5-24-28-19-23(34)15-17-33(28,4)27-16-18-32(3)25(13-14-26(32)29(27)30(24)35)20(2)7-6-8-21-9-11-22(12-10-21)31(36)37/h6,8-12,20,23-30,34-35H,5,7,13-19H2,1-4H3,(H,36,37)/b8-6+/t20-,23-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400007
PNG
(US10323060, Example 20)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H50O4/c1-5-24-28-19-23(34)15-17-33(28,4)27-16-18-32(3)25(13-14-26(32)29(27)30(24)35)20(2)7-6-8-21-9-11-22(12-10-21)31(36)37/h9-12,20,23-30,34-35H,5-8,13-19H2,1-4H3,(H,36,37)/t20-,23-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400008
PNG
(US10323060, Example 21)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cccc(c4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-6-25-29-20-24(35)15-17-34(29,4)28-16-18-33(3)26(13-14-27(33)30(28)31(25)36)21(2)9-7-10-22-11-8-12-23(19-22)32(37)38-5/h7-8,10-12,19,21,24-31,35-36H,6,9,13-18,20H2,1-5H3/b10-7+/t21-,24-,25-,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400009
PNG
(US10323060, Example 22)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H48O4/c1-5-24-28-19-23(34)14-16-33(28,4)27-15-17-32(3)25(12-13-26(32)29(27)30(24)35)20(2)8-6-9-21-10-7-11-22(18-21)31(36)37/h6-7,9-11,18,20,23-30,34-35H,5,8,12-17,19H2,1-4H3,(H,36,37)/b9-6+/t20-,23-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400010
PNG
(US10323060, Example 23)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H50O4/c1-5-24-28-19-23(34)14-16-33(28,4)27-15-17-32(3)25(12-13-26(32)29(27)30(24)35)20(2)8-6-9-21-10-7-11-22(18-21)31(36)37/h7,10-11,18,20,23-30,34-35H,5-6,8-9,12-17,19H2,1-4H3,(H,36,37)/t20-,23-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400011
PNG
(US10323060, Example 24)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)-c4nnn[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1/C33H48N4O2/c1-5-24-28-19-23(38)15-17-33(28,4)27-16-18-32(3)25(13-14-26(32)29(27)30(24)39)20(2)7-6-8-21-9-11-22(12-10-21)31-34-36-37-35-31/h6,8-12,20,23-30,38-39H,5,7,13-19H2,1-4H3,(H,34,35,36,37)/b8-6+/t20-,23-,24-,25-,26+,27+,28+,29+,30-,32-,33-/s2
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400012
PNG
(US10323060, Example 25)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H47FO4/c1-5-23-28-18-22(35)13-15-33(28,4)27-14-16-32(3)25(11-12-26(32)29(27)30(23)36)19(2)7-6-8-20-9-10-21(34)17-24(20)31(37)38/h6,8-10,17,19,22-23,25-30,35-36H,5,7,11-16,18H2,1-4H3,(H,37,38)/b8-6+/t19-,22-,23-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400013
PNG
(US10323060, Example 26)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H49FO4/c1-5-23-28-18-22(35)13-15-33(28,4)27-14-16-32(3)25(11-12-26(32)29(27)30(23)36)19(2)7-6-8-20-9-10-21(34)17-24(20)31(37)38/h9-10,17,19,22-23,25-30,35-36H,5-8,11-16,18H2,1-4H3,(H,37,38)/t19-,22-,23-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400014
PNG
(US10323060, Example 27)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cnccc4C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H49NO4/c1-6-23-28-18-22(35)12-15-33(28,4)27-13-16-32(3)25(10-11-26(32)29(27)30(23)36)20(2)8-7-9-21-19-34-17-14-24(21)31(37)38-5/h7,9,14,17,19-20,22-23,25-30,35-36H,6,8,10-13,15-16,18H2,1-5H3/b9-7+/t20-,22-,23-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400015
PNG
(US10323060, Example 28)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cnccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C32H47NO4/c1-5-22-27-17-21(34)11-14-32(27,4)26-12-15-31(3)24(9-10-25(31)28(26)29(22)35)19(2)7-6-8-20-18-33-16-13-23(20)30(36)37/h6,8,13,16,18-19,21-22,24-29,34-35H,5,7,9-12,14-15,17H2,1-4H3,(H,36,37)/b8-6+/t19-,21-,22-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400016
PNG
(US10323060, Example 29)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4C#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C33H47NO2/c1-5-25-29-19-24(35)15-17-33(29,4)28-16-18-32(3)26(13-14-27(32)30(28)31(25)36)21(2)9-8-12-22-10-6-7-11-23(22)20-34/h6-8,10-12,21,24-31,35-36H,5,9,13-19H2,1-4H3/b12-8+/t21-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400017
PNG
(US10323060, Example 30)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4-c4nnn[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1/C33H48N4O2/c1-5-23-28-19-22(38)15-17-33(28,4)27-16-18-32(3)25(13-14-26(32)29(27)30(23)39)20(2)9-8-11-21-10-6-7-12-24(21)31-34-36-37-35-31/h6-8,10-12,20,22-23,25-30,38-39H,5,9,13-19H2,1-4H3,(H,34,35,36,37)/b11-8+/t20-,22-,23-,25-,26+,27+,28+,29+,30-,32-,33-/s2
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400018
PNG
(US10323060, Example 31)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5cccc(C(=O)OC)c5[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1/C33H48N2O4/c1-6-20-25-17-19(36)12-14-33(25,4)24-13-15-32(3)22(10-11-23(32)28(24)30(20)37)18(2)16-27-34-26-9-7-8-21(29(26)35-27)31(38)39-5/h7-9,18-20,22-25,28,30,36-37H,6,10-17H2,1-5H3,(H,34,35)/t18-,19-,20-,22-,23+,24+,25+,28+,30-,32-,33-/s2
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400019
PNG
(US10323060, Example 32)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5cccc(C(O)=O)c5[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1/C32H46N2O4/c1-5-19-24-16-18(35)11-13-32(24,4)23-12-14-31(3)21(9-10-22(31)27(23)29(19)36)17(2)15-26-33-25-8-6-7-20(30(37)38)28(25)34-26/h6-8,17-19,21-24,27,29,35-36H,5,9-16H2,1-4H3,(H,33,34)(H,37,38)/t17-,18-,19-,21-,22+,23+,24+,27+,29-,31-,32-/s2
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400020
PNG
(US10323060, Example 33)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-5-24-29-18-23(35)11-13-34(29,4)28-12-14-33(3)26(9-10-27(33)30(28)31(24)36)19(2)15-22-17-25(22)20-7-6-8-21(16-20)32(37)38/h6-8,16,19,22-31,35-36H,5,9-15,17-18H2,1-4H3,(H,37,38)/t19-,22?,23-,24-,25?,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400021
PNG
(US10323060, Example 34)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C34H50O4/c1-5-24-29-18-23(35)12-14-34(29,4)28-13-15-33(3)26(10-11-27(33)30(28)31(24)36)19(2)16-22-17-25(22)20-6-8-21(9-7-20)32(37)38/h6-9,19,22-31,35-36H,5,10-18H2,1-4H3,(H,37,38)/t19-,22?,23-,24-,25?,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM400022
PNG
(US10323060, Example 35)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOc4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C32H47FO5/c1-5-21-26-17-20(34)10-13-32(26,4)25-11-14-31(3)23(7-8-24(31)28(25)29(21)35)18(2)12-15-38-27-9-6-19(33)16-22(27)30(36)37/h6,9,16,18,20-21,23-26,28-29,34-35H,5,7-8,10-15,17H2,1-4H3,(H,36,37)/t18-,20-,21-,23-,24+,25+,26+,28+,29-,31-,32-/m1/s1
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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 US10323060 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370063
PNG
(Synthesis of (E)-isopropyl 6-(3,4-difluorobenzoyl)...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H20F5N3O3/c1-10(2)32-19(31)12-8-29(18(30)11-5-6-13(22)14(23)7-11)9-20(3,4)15-16(12)27-28-17(15)21(24,25)26/h5-8,10H,9H2,1-4H3,(H,27,28)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370064
PNG
(Synthesis of (E)-ethyl 6-(3,4-difluorobenzoyl)-3,4...)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2c(C)n[nH]c12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2N3O3/c1-5-28-19(27)13-9-25(18(26)12-6-7-14(21)15(22)8-12)10-20(3,4)16-11(2)23-24-17(13)16/h6-9H,5,10H2,1-4H3,(H,23,24)
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n/an/an/an/a<200n/an/an/an/a



AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370065
PNG
(Synthesis of (E)-ethyl 6-(3,4-difluorobenzoyl)-3-(...)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)-c1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H22F3N3O3/c1-4-34-24(33)17-12-31(23(32)15-7-10-18(27)19(28)11-15)13-25(2,3)20-21(29-30-22(17)20)14-5-8-16(26)9-6-14/h5-12H,4,13H2,1-3H3,(H,29,30)
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n/an/an/an/a<200n/an/an/an/a



AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370066
PNG
(Synthesis of (E)-ethyl 6-(3,4-difluorobenzoyl)-4,4...)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H19F2N3O3/c1-4-27-18(26)12-9-24(10-19(2,3)13-8-22-23-16(12)13)17(25)11-5-6-14(20)15(21)7-11/h5-9H,4,10H2,1-3H3,(H,22,23)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370067
PNG
(US10233187, Example 5)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H25F2N3O3/c1-6-30-21(29)14-10-27(20(28)13-7-8-15(23)16(24)9-13)11-22(4,5)17-18(12(2)3)25-26-19(14)17/h7-10,12H,6,11H2,1-5H3,(H,25,26)
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n/an/an/an/a<200n/an/an/an/a



AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370068
PNG
(US10233187, Example 6)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(OCCN2CCOCC2)c1
Show InChI InChI=1S/C27H32F4N4O5/c1-16(2)40-25(37)18-14-35(15-26(3,4)21-22(18)32-33-23(21)27(29,30)31)24(36)17-5-6-19(28)20(13-17)39-12-9-34-7-10-38-11-8-34/h5-6,13-14,16H,7-12,15H2,1-4H3,(H,32,33)
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n/an/an/an/a 600n/an/an/an/a



AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370069
PNG
(US10233187, Example 7)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C27H33F3N4O5/c1-17(2)39-25(36)20-15-34(16-26(3,4)21-22(20)31-32-23(21)27(28,29)30)24(35)18-6-5-7-19(14-18)38-13-10-33-8-11-37-12-9-33/h5-7,14-15,17H,8-13,16H2,1-4H3,(H,31,32)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370070
PNG
(US10233187, Example 8)
Show SMILES CC(C)NC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H34F3N5O4/c1-17(2)31-24(36)20-15-35(16-26(3,4)21-22(20)32-33-23(21)27(28,29)30)25(37)18-5-7-19(8-6-18)39-14-11-34-9-12-38-13-10-34/h5-8,15,17H,9-14,16H2,1-4H3,(H,31,36)(H,32,33)
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n/an/an/an/a<200n/an/an/an/a



AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370071
PNG
(US10233187, Example 9)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H35F3N4O5/c1-18(2)40-26(37)21-16-35(17-27(3,4)22-23(21)32-33-24(22)28(29,30)31)25(36)19-6-8-20(9-7-19)39-13-5-10-34-11-14-38-15-12-34/h6-9,16,18H,5,10-15,17H2,1-4H3,(H,32,33)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370072
PNG
(US10233187, Example 10)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(C)=O)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H23F2N3O4/c1-11(2)31-21(30)14-9-27(20(29)13-6-7-15(23)16(24)8-13)10-22(4,5)17-18(12(3)28)25-26-19(14)17/h6-9,11H,10H2,1-5H3,(H,25,26)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM370073
PNG
(US10233187, Example 11)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1cc(F)c(F)cc1Cl
Show InChI InChI=1S/C21H19ClF5N3O3/c1-9(2)33-19(32)11-7-30(18(31)10-5-13(23)14(24)6-12(10)22)8-20(3,4)15-16(11)28-29-17(15)21(25,26)27/h5-7,9H,8H2,1-4H3,(H,28,29)
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AKARNA THERAPEUTICS, LTD.

US Patent


Assay Description
Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 μL of compound into 10 μL of D...


US Patent US10233187 (2019)

More data for this
Ligand-Target Pair
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