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Patent code US10793568

Compile Data Set for Download or QSAR

Found 340 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465392
PNG
(US10793568, Compound I-11)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1
Show InChI InChI=1S/C29H30FN3O5S/c30-19-10-16(26(34)35)11-21-23(19)31-28(39-21)33-13-17-9-18(33)12-20(17)37-27(36)22-24(15-1-2-15)38-32-25(22)29-6-3-14(4-7-29)5-8-29/h10-11,14-15,17-18,20H,1-9,12-13H2,(H,34,35)/t14?,17-,18-,20+,29?/m0/s1
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n/an/an/an/a 20n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465398
PNG
(US10793568, Compound I-17)
Show SMILES OC(=O)c1cc(OCC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H24Cl2F3N3O5S/c30-18-2-1-3-19(31)23(18)24-17(26(42-36-24)13-4-5-13)11-40-20-9-16-6-15(20)10-37(16)28-35-25-21(41-12-29(32,33)34)7-14(27(38)39)8-22(25)43-28/h1-3,7-8,13,15-16,20H,4-6,9-12H2,(H,38,39)/t15-,16-,20+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465400
PNG
(US10793568, Compound I-19)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1
Show InChI InChI=1S/C28H23F4N3O4S/c29-20-8-14(26(36)37)9-22-24(20)33-27(40-22)35-11-15-7-16(35)10-21(15)38-12-18-23(34-39-25(18)13-5-6-13)17-3-1-2-4-19(17)28(30,31)32/h1-4,8-9,13,15-16,21H,5-7,10-12H2,(H,36,37)/t15-,16-,21+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465415
PNG
(US10793568, Compound I-34)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H20Cl2FN3O5S/c28-15-2-1-3-16(29)20(15)23-21(24(38-32-23)11-4-5-11)26(36)37-18-9-14-6-13(18)10-33(14)27-31-22-17(30)7-12(25(34)35)8-19(22)39-27/h1-3,7-8,11,13-14,18H,4-6,9-10H2,(H,34,35)/t13-,14-,18-/m0/s1
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n/an/an/an/a>3.16E+4n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465422
PNG
(US10793568, Compound I-41)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@H]2C[C@@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H22Cl2FN3O4S/c28-17-2-1-3-18(29)22(17)23-16(25(37-32-23)12-4-5-12)11-36-20-9-15-6-14(20)10-33(15)27-31-24-19(30)7-13(26(34)35)8-21(24)38-27/h1-3,7-8,12,14-15,20H,4-6,9-11H2,(H,34,35)/t14-,15-,20-/m1/s1
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n/an/an/an/a>3.16E+4n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465428
PNG
(US10793568, Compound I-47)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1C(=O)O[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C29H27Cl2N3O6S/c30-21-2-1-3-22(31)24(21)26-25(27(40-32-26)15-4-5-15)29(36)39-23-13-19-12-17(23)14-34(19)18-8-6-16(7-9-18)28(35)33-41(37,38)20-10-11-20/h1-3,6-9,15,17,19-20,23H,4-5,10-14H2,(H,33,35)/t17-,19-,23+/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465429
PNG
(US10793568, Compound I-48)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C27H24Cl2FN3O6S/c1-40(36,37)32-26(34)14-7-8-20(19(30)10-14)33-12-15-9-16(33)11-21(15)38-27(35)23-24(31-39-25(23)13-5-6-13)22-17(28)3-2-4-18(22)29/h2-4,7-8,10,13,15-16,21H,5-6,9,11-12H2,1H3,(H,32,34)/t15-,16-,21+/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465440
PNG
(US10793568, Compound I-59)
Show SMILES CCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H31Cl2N3O5S/c1-2-12-40(36,37)33-29(35)18-8-10-20(11-9-18)34-15-19-13-21(34)14-25(19)38-16-22-27(32-39-28(22)17-6-7-17)26-23(30)4-3-5-24(26)31/h3-5,8-11,17,19,21,25H,2,6-7,12-16H2,1H3,(H,33,35)/t19-,21-,25+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465460
PNG
(US10793568, Compound I-112)
Show SMILES COc1cc(ccc1C(O)=O)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H26Cl2N2O5/c1-34-23-10-16(7-8-18(23)27(32)33)31-12-15-9-17(31)11-22(15)35-13-19-25(30-36-26(19)14-5-6-14)24-20(28)3-2-4-21(24)29/h2-4,7-8,10,14-15,17,22H,5-6,9,11-13H2,1H3,(H,32,33)/t15-,17-,22+/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465530
PNG
(US10793568, Compound I-179)
Show SMILES OC(=O)c1cc(no1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C23H21Cl2N3O5/c24-15-2-1-3-16(25)20(15)21-14(22(33-27-21)11-4-5-11)10-31-17-7-13-6-12(17)9-28(13)19-8-18(23(29)30)32-26-19/h1-3,8,11-13,17H,4-7,9-10H2,(H,29,30)/t12-,13-,17+/m0/s1
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n/an/an/an/a 631n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465399
PNG
(US10793568, Compound I-18)
Show SMILES CCOc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O
Show InChI InChI=1S/C29H27Cl2N3O5S/c1-2-37-22-9-15(28(35)36)10-23-26(22)32-29(40-23)34-12-16-8-17(34)11-21(16)38-13-18-25(33-39-27(18)14-6-7-14)24-19(30)4-3-5-20(24)31/h3-5,9-10,14,16-17,21H,2,6-8,11-13H2,1H3,(H,35,36)/t16-,17-,21+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465540
PNG
(US10793568, Compound I-190)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C31H34Cl2FN3O5S/c1-17(2)10-11-43(39,40)36-31(38)19-8-9-26(25(34)13-19)37-15-20-12-21(37)14-27(20)41-16-22-29(35-42-30(22)18-6-7-18)28-23(32)4-3-5-24(28)33/h3-5,8-9,13,17-18,20-21,27H,6-7,10-12,14-16H2,1-2H3,(H,36,38)/t20-,21-,27+/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465541
PNG
(US10793568, Compound I-191)
Show SMILES CCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C31H34Cl2FN3O5S/c1-2-3-4-12-43(39,40)36-31(38)19-10-11-26(25(34)14-19)37-16-20-13-21(37)15-27(20)41-17-22-29(35-42-30(22)18-8-9-18)28-23(32)6-5-7-24(28)33/h5-7,10-11,14,18,20-21,27H,2-4,8-9,12-13,15-17H2,1H3,(H,36,38)/t20-,21-,27+/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465546
PNG
(US10793568, Compound I-196)
Show SMILES FC1(CC1)c1onc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H28Cl2FN3O5S/c30-22-2-1-3-23(31)25(22)26-21(27(40-33-26)29(32)10-11-29)15-39-24-13-19-12-17(24)14-35(19)18-6-4-16(5-7-18)28(36)34-41(37,38)20-8-9-20/h1-7,17,19-20,24H,8-15H2,(H,34,36)/t17-,19-,24+/m0/s1
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n/an/an/an/a 3.16n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465568
PNG
(US10793568, Compound I-218)
Show SMILES CC(CCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1cccc(Cl)c1Cl)C1CC1)OC(=O)CCC(O)=O
Show InChI InChI=1S/C34H37Cl2N3O9S/c1-19(47-30(42)12-11-29(40)41)13-14-49(44,45)38-34(43)21-7-9-23(10-8-21)39-17-22-15-24(39)16-28(22)46-18-26-32(37-48-33(26)20-5-6-20)25-3-2-4-27(35)31(25)36/h2-4,7-10,19-20,22,24,28H,5-6,11-18H2,1H3,(H,38,43)(H,40,41)/t19?,22-,24-,28+/m0/s1
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n/an/an/an/a 2.51n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465579
PNG
(US10793568, Compound I-229)
Show SMILES Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C31H38FN3O5S/c32-25-14-20(30(36)34-41(37,38)23-4-5-23)3-6-26(25)35-16-21-13-22(35)15-27(21)39-17-24-28(33-40-29(24)19-1-2-19)18-7-9-31(10-8-18)11-12-31/h3,6,14,18-19,21-23,27H,1-2,4-5,7-13,15-17H2,(H,34,36)/t21-,22-,27+/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465592
PNG
(US10793568, Compound I-242)
Show SMILES Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CC2)cc1F
Show InChI InChI=1S/C32H35ClFN3O5S/c1-18-3-2-4-25(33)30(18)31-24(32(42-35-31)20-7-8-20)17-41-28-15-22-14-21(28)16-37(22)27-11-5-19(13-26(27)34)6-12-29(38)36-43(39,40)23-9-10-23/h2-5,11,13,20-23,28H,6-10,12,14-17H2,1H3,(H,36,38)/t21-,22-,28+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465595
PNG
(US10793568, Compound I-245)
Show SMILES OC(=O)c1ccc(cc1)N1[C@@H]2C[C@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C26H22Cl2N2O5/c27-19-2-1-3-20(28)22(19)23-18(24(35-29-23)13-4-5-13)12-34-21-11-16-10-17(21)25(31)30(16)15-8-6-14(7-9-15)26(32)33/h1-3,6-9,13,16-17,21H,4-5,10-12H2,(H,32,33)/t16-,17+,21-/m0/s1
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n/an/an/an/a<3.16E+3n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465598
PNG
(US10793568, Compound I-248)
Show SMILES CC(C)(C)c1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O
Show InChI InChI=1S/C31H31Cl2N3O4S/c1-31(2,3)20-10-16(29(37)38)11-24-27(20)34-30(41-24)36-13-17-9-18(36)12-23(17)39-14-19-26(35-40-28(19)15-7-8-15)25-21(32)5-4-6-22(25)33/h4-6,10-11,15,17-18,23H,7-9,12-14H2,1-3H3,(H,37,38)/t17-,18-,23+/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465601
PNG
(US10793568, Compound I-251)
Show SMILES OC(=O)c1cc(C2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C31H29Cl2N3O5S/c32-22-2-1-3-23(33)26(22)28-21(29(41-35-28)15-4-5-15)14-40-24-11-19-8-18(24)12-36(19)31-34-27-20(16-6-7-39-13-16)9-17(30(37)38)10-25(27)42-31/h1-3,9-10,15-16,18-19,24H,4-8,11-14H2,(H,37,38)/t16?,18-,19-,24+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465619
PNG
(US10793568, Compound I-270)
Show SMILES Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(OC3CC3)cc(cc2s1)C(O)=O
Show InChI InChI=1S/C31H30ClN3O5S/c1-15-3-2-4-22(32)26(15)27-21(29(40-34-27)16-5-6-16)14-38-23-12-19-9-18(23)13-35(19)31-33-28-24(39-20-7-8-20)10-17(30(36)37)11-25(28)41-31/h2-4,10-11,16,18-20,23H,5-9,12-14H2,1H3,(H,36,37)/t18-,19-,23+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465621
PNG
(US10793568, Compound I-272)
Show SMILES Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(cc(cc2s1)C(O)=O)[C@H]1CCOC1
Show InChI InChI=1S/C32H32ClN3O5S/c1-16-3-2-4-24(33)27(16)29-23(30(41-35-29)17-5-6-17)15-40-25-12-21-9-20(25)13-36(21)32-34-28-22(18-7-8-39-14-18)10-19(31(37)38)11-26(28)42-32/h2-4,10-11,17-18,20-21,25H,5-9,12-15H2,1H3,(H,37,38)/t18-,20-,21-,25+/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465624
PNG
(US10793568, Compound I-275 | US10793568, Compound ...)
Show SMILES Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(O[C@@H]3CCOC3)cc(cc2s1)C(O)=O
Show InChI InChI=1S/C32H32ClN3O6S/c1-16-3-2-4-23(33)27(16)28-22(30(42-35-28)17-5-6-17)15-40-24-12-20-9-19(24)13-36(20)32-34-29-25(41-21-7-8-39-14-21)10-18(31(37)38)11-26(29)43-32/h2-4,10-11,17,19-21,24H,5-9,12-15H2,1H3,(H,37,38)/t19-,20-,21+,24+/m0/s1
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n/an/an/an/a 1.58n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465635
PNG
(US10793568, Compound I-286)
Show SMILES COc1cc(Cl)c(-c2noc(C3CC3)c2CO[C@@H]2C[C@@H]3C[C@H]2CN3c2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H24Cl2FN3O5S/c1-37-16-8-18(29)23(19(30)9-16)24-17(26(39-33-24)12-2-3-12)11-38-21-7-15-4-14(21)10-34(15)28-32-25-20(31)5-13(27(35)36)6-22(25)40-28/h5-6,8-9,12,14-15,21H,2-4,7,10-11H2,1H3,(H,35,36)/t14-,15-,21+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465663
PNG
(US10793568, Compound I-314)
Show SMILES OC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C26H21Cl2FN2O5/c27-18-2-1-3-19(28)22(18)23-17(24(36-30-23)12-4-5-12)11-35-21-10-14-8-16(21)25(32)31(14)13-6-7-15(26(33)34)20(29)9-13/h1-3,6-7,9,12,14,16,21H,4-5,8,10-11H2,(H,33,34)/t14-,16+,21+/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465668
PNG
(US10793568, Compound I-319)
Show SMILES OC(=O)c1ccc(cc1C1CC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C29H26Cl2N2O5/c30-22-2-1-3-23(31)25(22)26-21(27(38-32-26)15-6-7-15)13-37-24-12-17-11-20(24)28(34)33(17)16-8-9-18(29(35)36)19(10-16)14-4-5-14/h1-3,8-10,14-15,17,20,24H,4-7,11-13H2,(H,35,36)/t17-,20+,24+/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465669
PNG
(US10793568, Compound I-320)
Show SMILES OC(=O)c1ccc(cc1N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O)C1CC1
Show InChI InChI=1S/C29H26Cl2N2O5/c30-21-2-1-3-22(31)25(21)26-20(27(38-32-26)15-6-7-15)13-37-24-12-17-11-19(24)28(34)33(17)23-10-16(14-4-5-14)8-9-18(23)29(35)36/h1-3,8-10,14-15,17,19,24H,4-7,11-13H2,(H,35,36)/t17-,19+,24+/m0/s1
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n/an/an/an/a 31.6n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465676
PNG
(US10793568, Compound I-327)
Show SMILES OC(=O)CCc1ccc(cn1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C27H25Cl2N3O5/c28-20-2-1-3-21(29)24(20)25-19(26(37-31-25)14-4-5-14)13-36-22-11-17-10-18(22)27(35)32(17)16-8-6-15(30-12-16)7-9-23(33)34/h1-3,6,8,12,14,17-18,22H,4-5,7,9-11,13H2,(H,33,34)/t17-,18+,22+/m0/s1
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n/an/an/an/a<3.16E+3n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465679
PNG
(US10793568, Compound I-330)
Show SMILES CC1(C)CC(CCO1)S(=O)(=O)NC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C33H34Cl2FN3O7S/c1-33(2)15-20(10-11-45-33)47(42,43)38-31(40)21-9-8-18(13-26(21)36)39-19-12-22(32(39)41)27(14-19)44-16-23-29(37-46-30(23)17-6-7-17)28-24(34)4-3-5-25(28)35/h3-5,8-9,13,17,19-20,22,27H,6-7,10-12,14-16H2,1-2H3,(H,38,40)/t19-,20?,22+,27+/m0/s1
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n/an/an/an/a 1.58n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465682
PNG
(US10793568, Compound I-333)
Show SMILES Fc1cc(ccc1C(=O)NS(=O)(=O)CC1CCOCC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C32H32Cl2FN3O7S/c33-24-2-1-3-25(34)28(24)29-23(30(45-36-29)18-4-5-18)15-44-27-14-20-12-22(27)32(40)38(20)19-6-7-21(26(35)13-19)31(39)37-46(41,42)16-17-8-10-43-11-9-17/h1-3,6-7,13,17-18,20,22,27H,4-5,8-12,14-16H2,(H,37,39)/t20-,22+,27+/m0/s1
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n/an/an/an/a 1.58n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465685
PNG
(US10793568, Compound I-336)
Show SMILES Fc1cc(ccc1C(=O)NS(=O)(=O)CCC1CCOC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C32H32Cl2FN3O7S/c33-24-2-1-3-25(34)28(24)29-23(30(45-36-29)18-4-5-18)16-44-27-14-20-12-22(27)32(40)38(20)19-6-7-21(26(35)13-19)31(39)37-46(41,42)11-9-17-8-10-43-15-17/h1-3,6-7,13,17-18,20,22,27H,4-5,8-12,14-16H2,(H,37,39)/t17?,20-,22+,27+/m0/s1
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n/an/an/an/a 2.51n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465695
PNG
(US10793568, Compound I-346)
Show SMILES O[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C31H30Cl2FN3O7S/c32-21-3-1-4-22(33)27(21)28-20(29(44-35-28)15-7-8-15)14-43-25-13-17-11-19(25)31(40)37(17)16-9-10-18(23(34)12-16)30(39)36-45(41,42)26-6-2-5-24(26)38/h1,3-4,9-10,12,15,17,19,24-26,38H,2,5-8,11,13-14H2,(H,36,39)/t17-,19+,24+,25+,26+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465696
PNG
(US10793568, Compound I-347)
Show SMILES NS(=O)(=O)[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C31H30Cl2FN3O7S/c32-21-3-1-4-22(33)27(21)28-20(29(44-36-28)15-7-8-15)14-42-25-13-17-11-19(25)30(38)37(17)16-9-10-18(23(34)12-16)31(39)43-24-5-2-6-26(24)45(35,40)41/h1,3-4,9-10,12,15,17,19,24-26H,2,5-8,11,13-14H2,(H2,35,40,41)/t17-,19+,24+,25+,26+/m0/s1
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n/an/an/an/a 3.16n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465707
PNG
(US10793568, Compound I-358)
Show SMILES OC(=O)CNC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O
Show InChI InChI=1S/C28H25Cl2N3O6/c29-20-2-1-3-21(30)24(20)25-19(26(39-32-25)14-4-5-14)13-38-22-11-17-10-18(22)28(37)33(17)16-8-6-15(7-9-16)27(36)31-12-23(34)35/h1-3,6-9,14,17-18,22H,4-5,10-13H2,(H,31,36)(H,34,35)/t17-,18+,22+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465719
PNG
(US10793568, Compound I-370)
Show SMILES C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H25Cl2N3O4/c1-13-17-9-16(31(13)22-8-7-15(11-29-22)26(32)33)10-21(17)34-12-18-24(30-35-25(18)14-5-6-14)23-19(27)3-2-4-20(23)28/h2-4,7-8,11,13-14,16-17,21H,5-6,9-10,12H2,1H3,(H,32,33)/t13-,16+,17+,21-/m0/s1
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n/an/an/an/a 3.16E+4n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465383
PNG
(US10793568, Compound I-2)
Show SMILES OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H21Cl2N3O5S/c28-16-2-1-3-17(29)21(16)23-22(24(37-31-23)12-4-5-12)26(35)36-19-10-15-8-14(19)11-32(15)27-30-18-7-6-13(25(33)34)9-20(18)38-27/h1-3,6-7,9,12,14-15,19H,4-5,8,10-11H2,(H,33,34)/t14-,15-,19+/m0/s1
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n/an/an/an/a 50.1n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465396
PNG
(US10793568, Compound I-15)
Show SMILES OC(=O)c1cc(c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4S/c29-18-2-1-3-19(30)22(18)23-16(25(40-35-23)12-4-5-12)11-39-20-9-15-6-14(20)10-36(15)27-34-24-17(28(31,32)33)7-13(26(37)38)8-21(24)41-27/h1-3,7-8,12,14-15,20H,4-6,9-11H2,(H,37,38)/t14-,15-,20+/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465404
PNG
(US10793568, Compound I-23)
Show SMILES OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCOCC1)C1CC1
Show InChI InChI=1S/C27H28F3N3O6S/c28-27(29,30)38-20-8-15(25(34)35)9-21-23(20)31-26(40-21)33-11-16-7-17(33)10-19(16)37-12-18-22(13-3-5-36-6-4-13)32-39-24(18)14-1-2-14/h8-9,13-14,16-17,19H,1-7,10-12H2,(H,34,35)/t16-,17-,19+/m0/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465409
PNG
(US10793568, Compound I-28)
Show SMILES CS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C28H25Cl2FN4O5S2/c1-42(37,38)34-27(36)14-8-20(31)25-22(9-14)41-28(32-25)35-11-15-7-16(35)10-21(15)39-12-17-24(33-40-26(17)13-5-6-13)23-18(29)3-2-4-19(23)30/h2-4,8-9,13,15-16,21H,5-7,10-12H2,1H3,(H,34,36)/t15-,16-,21+/m0/s1
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n/an/an/an/a 1.26n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465416
PNG
(US10793568, Compound I-35)
Show SMILES OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H21Cl2N3O5S/c28-16-2-1-3-17(29)21(16)23-22(24(37-31-23)12-4-5-12)26(35)36-19-10-15-8-14(19)11-32(15)27-30-18-7-6-13(25(33)34)9-20(18)38-27/h1-3,6-7,9,12,14-15,19H,4-5,8,10-11H2,(H,33,34)/t14-,15-,19-/m0/s1
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n/an/an/an/a>3.16E+4n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465443
PNG
(US10793568, Compound I-62)
Show SMILES Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C29H28Cl2FN3O5S/c30-21-2-1-3-22(31)26(21)27-20(28(40-33-27)15-4-5-15)14-39-25-12-18-10-17(25)13-35(18)24-9-6-16(11-23(24)32)29(36)34-41(37,38)19-7-8-19/h1-3,6,9,11,15,17-19,25H,4-5,7-8,10,12-14H2,(H,34,36)/t17-,18-,25+/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465456
PNG
(US10793568, Compound I-108)
Show SMILES OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C1CC1
Show InChI InChI=1S/C29H28Cl2N2O4/c30-22-2-1-3-23(31)26(22)27-21(28(37-32-27)16-6-7-16)14-36-25-12-19-10-18(25)13-33(19)24-9-8-17(29(34)35)11-20(24)15-4-5-15/h1-3,8-9,11,15-16,18-19,25H,4-7,10,12-14H2,(H,34,35)/t18-,19-,25+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465459
PNG
(US10793568, Compound I-111)
Show SMILES Cc1cc(ccc1C(O)=O)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H26Cl2N2O4/c1-14-9-17(7-8-19(14)27(32)33)31-12-16-10-18(31)11-23(16)34-13-20-25(30-35-26(20)15-5-6-15)24-21(28)3-2-4-22(24)29/h2-4,7-9,15-16,18,23H,5-6,10-13H2,1H3,(H,32,33)/t16-,18-,23+/m0/s1
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n/an/an/an/a 0.501n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465491
PNG
(US10793568, Compound I-140)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2oc(=O)[nH]c2c1
Show InChI InChI=1S/C26H23Cl2N3O4/c27-18-2-1-3-19(28)23(18)24-17(25(35-30-24)13-4-5-13)12-33-22-10-16-8-14(22)11-31(16)15-6-7-21-20(9-15)29-26(32)34-21/h1-3,6-7,9,13-14,16,22H,4-5,8,10-12H2,(H,29,32)/t14-,16-,22+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465499
PNG
(US10793568, Compound I-148)
Show SMILES OC(=O)CCCc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H30Cl2N2O4/c30-23-4-2-5-24(31)27(23)28-22(29(37-32-28)18-9-10-18)16-36-25-14-21-13-19(25)15-33(21)20-11-7-17(8-12-20)3-1-6-26(34)35/h2,4-5,7-8,11-12,18-19,21,25H,1,3,6,9-10,13-16H2,(H,34,35)/t19-,21-,25+/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465500
PNG
(US10793568, Compound I-149)
Show SMILES OC(=O)C1(CC1)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H28Cl2N2O4/c30-22-2-1-3-23(31)25(22)26-21(27(37-32-26)16-4-5-16)15-36-24-13-20-12-17(24)14-33(20)19-8-6-18(7-9-19)29(10-11-29)28(34)35/h1-3,6-9,16-17,20,24H,4-5,10-15H2,(H,34,35)/t17-,20-,24+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465504
PNG
(US10793568, Compound I-153)
Show SMILES OC(=O)Cc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C27H25Cl2FN2O4/c28-19-2-1-3-20(29)25(19)26-18(27(36-31-26)15-5-6-15)13-35-23-11-17-10-16(23)12-32(17)22-7-4-14(8-21(22)30)9-24(33)34/h1-4,7-8,15-17,23H,5-6,9-13H2,(H,33,34)/t16-,17-,23+/m0/s1
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n/an/an/an/a 0.631n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465507
PNG
(US10793568, Compound I-156)
Show SMILES CC(C)(Cc1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O
Show InChI InChI=1S/C30H31Cl2FN2O4/c1-30(2,29(36)37)13-17-8-9-19(11-24(17)33)35-14-18-10-20(35)12-25(18)38-15-21-27(34-39-28(21)16-6-7-16)26-22(31)4-3-5-23(26)32/h3-5,8-9,11,16,18,20,25H,6-7,10,12-15H2,1-2H3,(H,36,37)/t18-,20-,25+/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465526
PNG
(US10793568, Compound I-175)
Show SMILES OP(O)(=O)CCc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C27H29Cl2N2O5P/c28-22-2-1-3-23(29)25(22)26-21(27(36-30-26)17-6-7-17)15-35-24-13-20-12-18(24)14-31(20)19-8-4-16(5-9-19)10-11-37(32,33)34/h1-5,8-9,17-18,20,24H,6-7,10-15H2,(H2,32,33,34)/t18-,20-,24+/m0/s1
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n/an/an/an/a 6.31n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (Human))
BDBM465539
PNG
(US10793568, Compound I-188)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)c1cn[nH]c1
Show InChI InChI=1S/C29H27Cl2N5O5S/c30-23-2-1-3-24(31)26(23)27-22(28(41-34-27)16-4-5-16)15-40-25-11-20-10-18(25)14-36(20)19-8-6-17(7-9-19)29(37)35-42(38,39)21-12-32-33-13-21/h1-3,6-9,12-13,16,18,20,25H,4-5,10-11,14-15H2,(H,32,33)(H,35,37)/t18-,20-,25+/m0/s1
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n/an/an/an/a 2.51n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%