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Patent code US10183917

Compile Data Set for Download or QSAR
Found 18 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))
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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n/an/an/an/a 37n/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))
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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n/an/an/an/a 11n/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))
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))
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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n/an/an/an/a 15n/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))
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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n/an/an/an/a 38n/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))
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))
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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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))
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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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))
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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n/an/an/an/a 35n/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))
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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n/an/an/an/a 6n/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))
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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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))
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))
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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n/an/an/an/a 6n/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))
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))
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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n/an/an/an/a 54n/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))
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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n/an/an/an/a 4n/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
* indicates data uncertainty>20%