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Patent code US10233187

Compile Data Set for Download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM370083
PNG
(US10233187, Example 21)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O3/c1-6-7-16-18-19(29-28-16)15(21(32)33-13(2)3)11-30(12-22(18,4)5)20(31)14-8-9-17(27-10-14)23(24,25)26/h8-11,13H,6-7,12H2,1-5H3,(H,28,29)
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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))
BDBM370108
PNG
(US10233187, Example 46)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2N3O3/c1-11(2)28-19(27)13-9-25(10-20(3,4)14-8-23-24-17(13)14)18(26)12-5-6-15(21)16(22)7-12/h5-9,11H,10H2,1-4H3,(H,23,24)
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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))
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))
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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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))
BDBM370075
PNG
(US10233187, Example 13)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1
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)18-5-7-19(8-6-18)38-14-11-33-9-12-37-13-10-33/h5-8,15,17H,9-14,16H2,1-4H3,(H,31,32)
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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))
BDBM370081
PNG
(US10233187, Example 19)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccccn1
Show InChI InChI=1S/C22H28N4O3/c1-6-9-16-18-19(25-24-16)15(21(28)29-14(2)3)12-26(13-22(18,4)5)20(27)17-10-7-8-11-23-17/h7-8,10-12,14H,6,9,13H2,1-5H3,(H,24,25)
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n/an/an/an/a 5.50E+3n/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))
BDBM370088
PNG
(US10233187, Example 26)
Show SMILES CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H29F2N3O3/c1-13(2)9-19-20-21(28-27-19)16(23(31)32-14(3)4)11-29(12-24(20,5)6)22(30)15-7-8-17(25)18(26)10-15/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,27,28)
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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))
BDBM370099
PNG
(US10233187, Example 37)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H28FN3O3/c1-6-8-18-19-20(26-25-18)17(22(29)30-14(2)3)12-27(13-23(19,4)5)21(28)15-9-7-10-16(24)11-15/h7,9-12,14H,6,8,13H2,1-5H3,(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))
BDBM370105
PNG
(US10233187, Example 43)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N3O3/c1-4-29-22(28)18-13-26(14-23(2,3)19-12-24-25-20(18)19)21(27)17-10-9-15-7-5-6-8-16(15)11-17/h5-13H,4,14H2,1-3H3,(H,24,25)
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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))
BDBM370110
PNG
(US10233187, Example 48)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O3/c1-4-25-18(24)14-11-22(17(23)13-8-6-5-7-9-13)12-19(2,3)15-10-20-21-16(14)15/h10-11,13H,4-9,12H2,1-3H3,(H,20,21)
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n/an/an/an/a 5.50E+3n/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))
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))
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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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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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))
BDBM370074
PNG
(US10233187, Example 12)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(CN2CCOCC2)c1
Show InChI InChI=1S/C26H30F4N4O4/c1-15(2)38-24(36)18-13-34(14-25(3,4)20-21(18)31-32-22(20)26(28,29)30)23(35)16-5-6-19(27)17(11-16)12-33-7-9-37-10-8-33/h5-6,11,13,15H,7-10,12,14H2,1-4H3,(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))
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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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))
BDBM370090
PNG
(US10233187, Example 28)
Show SMILES COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O4/c1-13(2)32-22(30)15-11-28(21(29)14-6-7-16(24)17(25)10-14)12-23(3,4)19-18(8-9-31-5)26-27-20(15)19/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,26,27)
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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))
BDBM370091
PNG
(US10233187, Example 29)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H34N4O4/c1-6-7-8-17-18-19(24-23-17)16(20(27)30-15(2)3)13-26(14-22(18,4)5)21(28)25-9-11-29-12-10-25/h13,15H,6-12,14H2,1-5H3,(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))
BDBM370097
PNG
(US10233187, Example 35)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C23H35N3O3/c1-6-10-18-19-20(25-24-18)17(22(28)29-15(2)3)13-26(14-23(19,4)5)21(27)16-11-8-7-9-12-16/h13,15-16H,6-12,14H2,1-5H3,(H,24,25)
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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))
BDBM370103
PNG
(US10233187, Example 41)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2c(CC)n[nH]c12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H23F2N3O3/c1-5-16-17-18(25-24-16)13(20(28)29-6-2)10-26(11-21(17,3)4)19(27)12-7-8-14(22)15(23)9-12/h7-10H,5-6,11H2,1-4H3,(H,24,25)
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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))
BDBM370107
PNG
(US10233187, Example 45)
Show SMILES CC(C)NC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H22F2N4O2/c1-11(2)24-18(27)13-9-26(10-20(3,4)14-8-23-25-17(13)14)19(28)12-5-6-15(21)16(22)7-12/h5-9,11H,10H2,1-4H3,(H,23,25)(H,24,27)
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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))
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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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))
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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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))
BDBM370077
PNG
(US10233187, Example 15 | US10233187, Example 16)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C21H20F5N3O3/c1-10(2)32-19(31)13-8-29(18(30)12-6-5-11(22)7-14(12)23)9-20(3,4)15-16(13)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))
BDBM370082
PNG
(US10233187, Example 20)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccncc1
Show InChI InChI=1S/C22H28N4O3/c1-6-7-17-18-19(25-24-17)16(21(28)29-14(2)3)12-26(13-22(18,4)5)20(27)15-8-10-23-11-9-15/h8-12,14H,6-7,13H2,1-5H3,(H,24,25)
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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))
BDBM370085
PNG
(US10233187, Example 23)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H21F4N3O3/c1-11(2)31-19(30)14-9-28(18(29)12-6-5-7-13(22)8-12)10-20(3,4)15-16(14)26-27-17(15)21(23,24)25/h5-9,11H,10H2,1-4H3,(H,26,27)
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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))
BDBM370089
PNG
(US10233187, Example 27)
Show SMILES COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H28FN3O4/c1-14(2)31-22(29)17-12-27(21(28)15-7-6-8-16(24)11-15)13-23(3,4)19-18(9-10-30-5)25-26-20(17)19/h6-8,11-12,14H,9-10,13H2,1-5H3,(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))
BDBM370092
PNG
(US10233187, Example 30)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C24H37N3O3/c1-6-7-13-19-20-21(26-25-19)18(23(29)30-16(2)3)14-27(15-24(20,4)5)22(28)17-11-9-8-10-12-17/h14,16-17H,6-13,15H2,1-5H3,(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))
BDBM370094
PNG
(US10233187, Example 32)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1
Show InChI InChI=1S/C23H35N3O4/c1-6-7-8-18-19-20(25-24-18)17(22(28)30-15(2)3)13-26(14-23(19,4)5)21(27)16-9-11-29-12-10-16/h13,15-16H,6-12,14H2,1-5H3,(H,24,25)
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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))
BDBM370101
PNG
(US10233187, Example 39)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3/c1-5-7-8-18-19-20(27-26-18)15(22(30)31-6-2)12-28(13-23(19,3)4)21(29)14-9-10-16(24)17(25)11-14/h9-12H,5-8,13H2,1-4H3,(H,26,27)
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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))
BDBM370104
PNG
(US10233187, Example 42)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O3/c1-11(2)28-19(27)13-9-25(10-20(3,4)14-8-23-24-17(13)14)18(26)12-5-6-15(21)16(22)7-12/h5-9,11H,10H2,1-4H3,(H,23,24)
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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))
BDBM370084
PNG
(US10233187, Example 22)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H28F3N5O3/c1-12(2)31-17(29)13-10-28(18(30)27-8-6-26(5)7-9-27)11-19(3,4)14-15(13)24-25-16(14)20(21,22)23/h10,12H,6-9,11H2,1-5H3,(H,24,25)
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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))
BDBM370087
PNG
(US10233187, Example 25)
Show SMILES CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H30FN3O3/c1-14(2)10-19-20-21(27-26-19)18(23(30)31-15(3)4)12-28(13-24(20,5)6)22(29)16-8-7-9-17(25)11-16/h7-9,11-12,14-15H,10,13H2,1-6H3,(H,26,27)
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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))
BDBM370096
PNG
(US10233187, Example 34)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-6-7-16-17-18(23-22-16)15(19(26)29-14(2)3)12-25(13-21(17,4)5)20(27)24-8-10-28-11-9-24/h12,14H,6-11,13H2,1-5H3,(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))
BDBM370100
PNG
(US10233187, Example 38)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3/c1-6-7-18-19-20(27-26-18)15(22(30)31-13(2)3)11-28(12-23(19,4)5)21(29)14-8-9-16(24)17(25)10-14/h8-11,13H,6-7,12H2,1-5H3,(H,26,27)
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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))
BDBM370111
PNG
(US10233187, Example 49)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H20FN3O3/c1-4-26-18(25)14-10-23(17(24)12-6-5-7-13(20)8-12)11-19(2,3)15-9-21-22-16(14)15/h5-10H,4,11H2,1-3H3,(H,21,22)
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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
Bile acid receptor


(Homo sapiens (Human))
BDBM370076
PNG
(US10233187, Example 14)
Show SMILES CC(C)NC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H21F5N4O2/c1-10(2)27-18(31)12-8-30(19(32)11-5-6-13(22)14(23)7-11)9-20(3,4)15-16(12)28-29-17(15)21(24,25)26/h5-8,10H,9H2,1-4H3,(H,27,31)(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
Bile acid receptor


(Homo sapiens (Human))
BDBM370098
PNG
(US10233187, Example 36)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1
Show InChI InChI=1S/C22H33N3O4/c1-6-7-17-18-19(24-23-17)16(21(27)29-14(2)3)12-25(13-22(18,4)5)20(26)15-8-10-28-11-9-15/h12,14-15H,6-11,13H2,1-5H3,(H,23,24)
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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))
BDBM370106
PNG
(US10233187, Example 44)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C21H21N3O3S/c1-4-27-20(26)14-11-24(12-21(2,3)15-10-22-23-18(14)15)19(25)17-9-13-7-5-6-8-16(13)28-17/h5-11H,4,12H2,1-3H3,(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))
BDBM370109
PNG
(US10233187, Example 47)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C20H19F2N3O5/c1-4-28-18(27)12-9-25(10-19(2,3)13-8-23-24-16(12)13)17(26)11-5-6-14-15(7-11)30-20(21,22)29-14/h5-9H,4,10H2,1-3H3,(H,23,24)
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n/an/an/an/a 5.50E+3n/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))
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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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))
BDBM370079
PNG
(US10233187, Example 17)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21F4N3O3/c1-11(2)31-19(30)14-9-28(18(29)12-5-7-13(22)8-6-12)10-20(3,4)15-16(14)26-27-17(15)21(23,24)25/h5-9,11H,10H2,1-4H3,(H,26,27)
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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))
BDBM370080
PNG
(US10233187, Example 18)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccnc1
Show InChI InChI=1S/C22H28N4O3/c1-6-8-17-18-19(25-24-17)16(21(28)29-14(2)3)12-26(13-22(18,4)5)20(27)15-9-7-10-23-11-15/h7,9-12,14H,6,8,13H2,1-5H3,(H,24,25)
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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))
BDBM370077
PNG
(US10233187, Example 15 | US10233187, Example 16)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C21H20F5N3O3/c1-10(2)32-19(31)13-8-29(18(30)12-6-5-11(22)7-14(12)23)9-20(3,4)15-16(13)27-28-17(15)21(24,25)26/h5-8,10H,9H2,1-4H3,(H,27,28)
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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))
BDBM370093
PNG
(US10233187, Example 31)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H29F2N3O3/c1-6-7-8-19-20-21(28-27-19)16(23(31)32-14(2)3)12-29(13-24(20,4)5)22(30)15-9-10-17(25)18(26)11-15/h9-12,14H,6-8,13H2,1-5H3,(H,27,28)
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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))
BDBM370102
PNG
(US10233187, Example 40)
Show SMILES CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H25F2N3O3/c1-5-7-17-18-19(26-25-17)14(21(29)30-6-2)11-27(12-22(18,3)4)20(28)13-8-9-15(23)16(24)10-13/h8-11H,5-7,12H2,1-4H3,(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))
BDBM370095
PNG
(US10233187, Example 33)
Show SMILES CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H30FN3O3/c1-6-7-11-19-20-21(27-26-19)18(23(30)31-15(2)3)13-28(14-24(20,4)5)22(29)16-9-8-10-17(25)12-16/h8-10,12-13,15H,6-7,11,14H2,1-5H3,(H,26,27)
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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
* indicates data uncertainty>20%