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Compile Data Set for Download or QSAR

Found 37 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))
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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n/an/an/an/a>1.00E+4n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (human))
BDBM322151
PNG
(US10183917, Example 33)
Show SMILES OC(=O)c1cnc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1
Show InChI InChI=1S/C26H19Cl2N3O5/c27-17-2-1-3-18(28)23(17)24-16(25(36-31-24)13-4-5-13)12-34-22-9-14-6-7-19-20(35-21(14)11-30-22)8-15(10-29-19)26(32)33/h1-3,8-11,13H,4-7,12H2,(H,32,33)
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n/an/an/an/a 18n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304497
PNG
(US10144729, Example 2a)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C39H35Cl3N2O5S/c1-39(2,3)25-13-16-27(17-14-25)50(46,47)44-38(45)24-11-7-22(8-12-24)29-20-30(29)28-18-15-26(19-34(28)42)48-21-31-36(43-49-37(31)23-9-10-23)35-32(40)5-4-6-33(35)41/h4-8,11-19,23,29-30H,9-10,20-21H2,1-3H3,(H,44,45)/t29-,30-/m0/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304498
PNG
(US10144729, Example 2b)
Show SMILES Clc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1[C@@H]1C[C@H]1c1ccc(cc1)C(=O)NS(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C35H33Cl3N2O5S/c36-29-7-4-8-30(37)32(29)33-28(34(45-39-33)21-11-12-21)19-44-23-15-16-25(31(38)17-23)27-18-26(27)20-9-13-22(14-10-20)35(41)40-46(42,43)24-5-2-1-3-6-24/h4,7-10,13-17,21,24,26-27H,1-3,5-6,11-12,18-19H2,(H,40,41)/t26-,27-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304715
PNG
(US10144729, Example 2c)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@@H]2C[C@H]2c2ccc(cc2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1
Show InChI InChI=1S/C32H27Cl3N2O5S/c33-26-2-1-3-27(34)29(26)30-25(31(42-36-30)18-6-7-18)16-41-20-10-13-22(28(35)14-20)24-15-23(24)17-4-8-19(9-5-17)32(38)37-43(39,40)21-11-12-21/h1-5,8-10,13-14,18,21,23-24H,6-7,11-12,15-16H2,(H,37,38)/t23-,24-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304716
PNG
(US10144729, Example 2d)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C39H36Cl3N3O5S/c1-39(2,3)24-11-16-27(17-12-24)51(47,48)45-38(46)43-25-13-9-22(10-14-25)29-20-30(29)28-18-15-26(19-34(28)42)49-21-31-36(44-50-37(31)23-7-8-23)35-32(40)5-4-6-33(35)41/h4-6,9-19,23,29-30H,7-8,20-21H2,1-3H3,(H2,43,45,46)/t29-,30-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304717
PNG
(US10144729, Example 1a)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C31H28Cl3N3O5S/c1-37(2)43(39,40)36-31(38)19-10-6-17(7-11-19)22-15-23(22)21-13-12-20(14-27(21)34)41-16-24-29(35-42-30(24)18-8-9-18)28-25(32)4-3-5-26(28)33/h3-7,10-14,18,22-23H,8-9,15-16H2,1-2H3,(H,36,38)/t22-,23-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM304718
PNG
(US10144729, Example 1b)
Show SMILES CN(C)S(=O)(=O)NC(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C31H29Cl3N4O5S/c1-38(2)44(40,41)37-31(39)35-19-10-8-17(9-11-19)22-15-23(22)21-13-12-20(14-27(21)34)42-16-24-29(36-43-30(24)18-6-7-18)28-25(32)4-3-5-26(28)33/h3-5,8-14,18,22-23H,6-7,15-16H2,1-2H3,(H2,35,37,39)/t22-,23-/m0/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (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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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)
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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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))
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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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))
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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n/an/an/an/a>1.00E+4n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (human))
BDBM306710
PNG
(US10149835, Example 1)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1C[C@@H](C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C30H31Cl2N5O5S2/c1-36(2)44(39,40)35-29(38)17-8-11-24-25(12-17)43-30(33-24)37-18-9-10-19(37)14-20(13-18)41-15-21-27(34-42-28(21)16-6-7-16)26-22(31)4-3-5-23(26)32/h3-5,8,11-12,16,18-20H,6-7,9-10,13-15H2,1-2H3,(H,35,38)/t18-,19?,20-/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306711
PNG
(US10149835, Example 2)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2c1nc2ccc(cc2s1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C31H30Cl2N4O5S2/c32-23-2-1-3-24(33)27(23)28-22(29(42-35-28)16-4-5-16)15-41-20-13-18-7-8-19(14-20)37(18)31-34-25-11-6-17(12-26(25)43-31)30(38)36-44(39,40)21-9-10-21/h1-3,6,11-12,16,18-21H,4-5,7-10,13-15H2,(H,36,38)/t18-,19?,20?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306712
PNG
(US10149835, Example 3)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C38H38Cl2N4O5S2/c1-38(2,3)23-10-14-27(15-11-23)51(46,47)43-36(45)22-9-16-31-32(17-22)50-37(41-31)44-24-12-13-25(44)19-26(18-24)48-20-28-34(42-49-35(28)21-7-8-21)33-29(39)5-4-6-30(33)40/h4-6,9-11,14-17,21,24-26H,7-8,12-13,18-20H2,1-3H3,(H,43,45)/t24-,25?,26?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306713
PNG
(US10149835, Example 4)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C29H31Cl2FN4O5S/c1-35(2)42(38,39)34-29(37)17-8-11-25(24(32)12-17)36-18-9-10-19(36)14-20(13-18)40-15-21-27(33-41-28(21)16-6-7-16)26-22(30)4-3-5-23(26)31/h3-5,8,11-12,16,18-20H,6-7,9-10,13-15H2,1-2H3,(H,34,37)/t18-,19?,20?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306714
PNG
(US10149835, Example 5)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C37H38Cl2FN3O5S/c1-37(2,3)23-10-14-27(15-11-23)49(45,46)42-36(44)22-9-16-32(31(40)17-22)43-24-12-13-25(43)19-26(18-24)47-20-28-34(41-48-35(28)21-7-8-21)33-29(38)5-4-6-30(33)39/h4-6,9-11,14-17,21,24-26H,7-8,12-13,18-20H2,1-3H3,(H,42,44)/t24-,25?,26?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306715
PNG
(US10149835, Example 6)
Show SMILES Fc1cc(ccc1N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C30H30Cl2FN3O5S/c31-23-2-1-3-24(32)27(23)28-22(29(41-34-28)16-4-5-16)15-40-20-13-18-7-8-19(14-20)36(18)26-11-6-17(12-25(26)33)30(37)35-42(38,39)21-9-10-21/h1-3,6,11-12,16,18-21H,4-5,7-10,13-15H2,(H,35,37)/t18-,19?,20?/m0/s1
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Elmore Patent Law Group, P.C.

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 US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322134
PNG
(8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4...)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-6-7-16)14-34-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)35-23/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322135
PNG
(US10183917, Example 15)
Show SMILES OC(=O)c1ccc2Oc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3CCc2c1
Show InChI InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-5-6-16)14-34-19-10-8-15-4-7-17-12-18(28(32)33)9-11-23(17)35-24(15)13-19/h1-3,8-13,16H,4-7,14H2,(H,32,33)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322134
PNG
(8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4...)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-6-7-16)14-34-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)35-23/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322137
PNG
(US10183917, Example 17)
Show SMILES CC(C)c1cnn(c1COc1ccc2Oc3cc(ccc3CCc2n1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H23Cl2N3O4/c1-15(2)18-13-30-32(26-19(28)4-3-5-20(26)29)22(18)14-35-25-11-10-23-21(31-25)9-8-16-6-7-17(27(33)34)12-24(16)36-23/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,33,34)
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n/an/an/an/a 23n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322138
PNG
(US10183917, Example 3)
Show SMILES OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C27H20Cl2N2O5/c28-18-2-1-3-19(29)24(18)25-17(26(36-31-25)15-5-6-15)13-34-23-11-10-21-20(30-23)9-8-14-4-7-16(27(32)33)12-22(14)35-21/h1-4,7,10-12,15H,5-6,8-9,13H2,(H,32,33)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322139
PNG
(US10183917, Example 19)
Show SMILES CS(=O)(=O)NC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H23Cl2N3O6S/c1-40(35,36)33-28(34)17-8-5-15-9-10-21-22(38-23(15)13-17)11-12-24(31-21)37-14-18-26(32-39-27(18)16-6-7-16)25-19(29)3-2-4-20(25)30/h2-5,8,11-13,16H,6-7,9-10,14H2,1H3,(H,33,34)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322140
PNG
(US10183917, Example 4)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1
Show InChI InChI=1S/C27H20Cl2N2O5/c28-19-2-1-3-20(29)24(19)25-18(26(36-31-25)15-6-7-15)13-34-23-11-16-8-4-14-5-9-17(27(32)33)10-21(14)35-22(16)12-30-23/h1-3,5,9-12,15H,4,6-8,13H2,(H,32,33)
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n/an/an/an/a 46n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322141
PNG
(US10183917, Example 27)
Show SMILES CC(C)c1nnn(c1COc1ccc2c(CCc3ccc(cc3C2=O)C(O)=O)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H23Cl2N3O4/c1-15(2)25-24(33(32-31-25)26-22(29)4-3-5-23(26)30)14-37-19-10-11-20-17(12-19)8-6-16-7-9-18(28(35)36)13-21(16)27(20)34/h3-5,7,9-13,15H,6,8,14H2,1-2H3,(H,35,36)
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n/an/an/an/a 12n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322142
PNG
(US10183917, Example 5)
Show SMILES OC(=O)c1ccc2CS(=O)(=O)c3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C27H19Cl2NO7S/c28-19-2-1-3-20(29)24(19)25-18(26(37-30-25)14-4-5-14)12-35-17-8-9-21-23(11-17)38(33,34)13-16-7-6-15(27(31)32)10-22(16)36-21/h1-3,6-11,14H,4-5,12-13H2,(H,31,32)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322143
PNG
(US10183917, Example 29)
Show SMILES CCNC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C29H25Cl2N3O4/c1-2-32-29(35)18-9-6-16-10-11-22-23(37-24(16)14-18)12-13-25(33-22)36-15-19-27(34-38-28(19)17-7-8-17)26-20(30)4-3-5-21(26)31/h3-6,9,12-14,17H,2,7-8,10-11,15H2,1H3,(H,32,35)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322144
PNG
(US10183917, Example 6)
Show SMILES OC(=O)c1ccc2CSc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C27H19Cl2NO5S/c28-19-2-1-3-20(29)24(19)25-18(26(35-30-25)14-4-5-14)12-33-17-8-9-21-23(11-17)36-13-16-7-6-15(27(31)32)10-22(16)34-21/h1-3,6-11,14H,4-5,12-13H2,(H,31,32)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322145
PNG
(US10183917, Example 30)
Show SMILES OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C27H20Cl2N2O5/c28-18-2-1-3-19(29)24(18)25-17(26(36-31-25)15-5-6-15)13-34-23-11-10-21-20(30-23)9-8-14-4-7-16(27(32)33)12-22(14)35-21/h1-4,7,10-12,15H,5-6,8-9,13H2,(H,32,33)
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n/an/an/an/a 27n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322146
PNG
(US10183917, Example 7)
Show SMILES OC(=O)c1ccc2CS(=O)c3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C27H19Cl2NO6S/c28-19-2-1-3-20(29)24(19)25-18(26(36-30-25)14-4-5-14)12-34-17-8-9-21-23(11-17)37(33)13-16-7-6-15(27(31)32)10-22(16)35-21/h1-3,6-11,14H,4-5,12-13H2,(H,31,32)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322147
PNG
(US10183917, Example 31)
Show SMILES OC(=O)c1ccc2CCCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H22Cl2N2O5/c29-19-4-2-5-20(30)25(19)26-18(27(37-32-26)16-8-9-16)14-35-24-12-11-22-21(31-24)6-1-3-15-7-10-17(28(33)34)13-23(15)36-22/h2,4-5,7,10-13,16H,1,3,6,8-9,14H2,(H,33,34)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322148
PNG
(US10183917, Example 9)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3C3(CC3)c2c1
Show InChI InChI=1S/C31H25Cl2NO4/c32-25-2-1-3-26(33)27(25)28-22(29(38-34-28)18-6-7-18)16-37-21-10-11-23-19(14-21)8-4-17-5-9-20(30(35)36)15-24(17)31(23)12-13-31/h1-3,5,9-11,14-15,18H,4,6-8,12-13,16H2,(H,35,36)
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322149
PNG
(US10183917, Example 32)
Show SMILES CS(=O)(=O)c1ccc2CCc3nc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3Oc2c1
Show InChI InChI=1S/C27H22Cl2N2O5S/c1-37(32,33)17-9-7-15-8-10-21-22(35-23(15)13-17)11-12-24(30-21)34-14-18-26(31-36-27(18)16-5-6-16)25-19(28)3-2-4-20(25)29/h2-4,7,9,11-13,16H,5-6,8,10,14H2,1H3
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM322150
PNG
(US10183917, Example 11)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C28H21Cl2NO6S/c29-21-2-1-3-22(30)25(21)26-20(27(37-31-26)16-6-7-16)14-36-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)38(23,34)35/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
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US Patent
n/an/an/an/a 56n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM21675
PNG
((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
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US Patent
n/an/an/an/a 550n/an/an/an/a



ENANTA PHARMACEUTICALS, INC.

US Patent


Assay Description
The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...


US Patent US10144729 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)