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Patent code US9718771

Compile Data Set for Download or QSAR
Found 48 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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264699
PNG
(US9718771, 2-45)
Show SMILES CCC(N(CC)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H28ClF3N2O2/c1-4-22(30(5-2)19-8-9-21(25)20(11-19)24(26,27)28)16-7-6-15(3)17(10-16)12-29-13-18(14-29)23(31)32/h6-11,18,22H,4-5,12-14H2,1-3H3,(H,31,32)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264702
PNG
(US9718771, 2-49)
Show SMILES CCN(C(C)c1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(21-7-5-6-20(23)11-21)16(3)17-9-8-15(2)18(10-17)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264671
PNG
(US9718771, 2-6)
Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C17H20ClNO/c1-3-19(16-8-7-13(2)17(18)10-16)11-14-5-4-6-15(9-14)12-20/h4-10,20H,3,11-12H2,1-2H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264676
PNG
(US9718771, 2-11)
Show SMILES CCN(C(C)c1ccc(C)c(CO)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO/c1-4-27(13(3)14-6-5-12(2)15(7-14)11-28)18-9-16(19(21,22)23)8-17(10-18)20(24,25)26/h5-10,13,28H,4,11H2,1-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264691
PNG
(US9718771, 2-32)
Show SMILES CCN(C(C)c1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-4-26(19-6-8-20(23)14(2)9-19)15(3)16-5-7-21(24)17(10-16)11-25-12-18(13-25)22(27)28/h5-10,15,18H,4,11-13H2,1-3H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264706
PNG
(US9718771, 4-1)
Show SMILES CCN(C1CCc2c1cccc2C#N)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C19H19ClN2/c1-3-22(15-7-9-18(20)13(2)11-15)19-10-8-16-14(12-21)5-4-6-17(16)19/h4-7,9,11,19H,3,8,10H2,1-2H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264688
PNG
(US9718771, 2-29)
Show SMILES CCN(C(C)c1cc(Cl)cc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-4-26(20-5-6-21(24)14(2)7-20)15(3)17-8-16(9-19(23)10-17)11-25-12-18(13-25)22(27)28/h5-10,15,18H,4,11-13H2,1-3H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264672
PNG
(US9718771, 2-7)
Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C18H23NO/c1-4-19(18-9-8-14(2)15(3)10-18)12-16-6-5-7-17(11-16)13-20/h5-11,20H,4,12-13H2,1-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264712
PNG
(US9718771, 6-5)
Show SMILES CCN([C@H](C)c1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(20-8-9-21(23)15(2)10-20)16(3)18-7-5-6-17(11-18)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)/t16-/m1/s1
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264693
PNG
(US9718771, 2-34)
Show SMILES CCN(C(C)c1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23Cl2F3N2O2/c1-3-29(17-5-7-20(24)18(9-17)22(25,26)27)13(2)14-4-6-19(23)15(8-14)10-28-11-16(12-28)21(30)31/h4-9,13,16H,3,10-12H2,1-2H3,(H,30,31)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264679
PNG
(US9718771, 2-14)
Show SMILES Cc1cc(ccc1Cl)N(Cc1cccc(CO)c1)C1CCC1
Show InChI InChI=1S/C19H22ClNO/c1-14-10-18(8-9-19(14)20)21(17-6-3-7-17)12-15-4-2-5-16(11-15)13-22/h2,4-5,8-11,17,22H,3,6-7,12-13H2,1H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264701
PNG
(US9718771, 2-47)
Show SMILES CCN(C(C)c1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(21-9-7-20(23)8-10-21)16(3)17-6-5-15(2)18(11-17)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264696
PNG
(US9718771, 2-41)
Show SMILES CCN(C(C)c1ccc(c(CN2CC(C2)C(O)=O)c1)C(F)(F)F)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF6N2O2/c1-3-32(17-5-7-20(24)19(9-17)23(28,29)30)13(2)14-4-6-18(22(25,26)27)15(8-14)10-31-11-16(12-31)21(33)34/h4-9,13,16H,3,10-12H2,1-2H3,(H,33,34)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264700
PNG
(US9718771, 2-46)
Show SMILES CCC(N(CC)c1ccc(Cl)c(C)c1)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H31ClN2O2/c1-5-23(27(6-2)21-9-10-22(25)17(4)11-21)18-8-7-16(3)19(12-18)13-26-14-20(15-26)24(28)29/h7-12,20,23H,5-6,13-15H2,1-4H3,(H,28,29)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264684
PNG
(US9718771, 2-21)
Show SMILES CCN(C1CCc2c1ccc(C)c2CN1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C24H29ClN2O2/c1-4-27(18-6-9-22(25)16(3)11-18)23-10-8-19-20(23)7-5-15(2)21(19)14-26-12-17(13-26)24(28)29/h5-7,9,11,17,23H,4,8,10,12-14H2,1-3H3,(H,28,29)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264710
PNG
(US9718771, 6-2)
Show SMILES CCN(C(CO)c1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N2O3/c1-3-29(18-6-7-20(24)19(9-18)23(25,26)27)21(13-30)15-5-4-14(2)16(8-15)10-28-11-17(12-28)22(31)32/h4-9,17,21,30H,3,10-13H2,1-2H3,(H,31,32)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264680
PNG
(US9718771, 2-15)
Show SMILES Cc1cc(ccc1Cl)N(Cc1cccc(CO)c1)CC(F)(F)F
Show InChI InChI=1S/C17H17ClF3NO/c1-12-7-15(5-6-16(12)18)22(11-17(19,20)21)9-13-3-2-4-14(8-13)10-23/h2-8,23H,9-11H2,1H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264675
PNG
(US9718771, 2-10)
Show SMILES CCN(Cc1cccc(CO)c1)c1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C18H22ClNO/c1-4-20(11-15-6-5-7-16(10-15)12-21)17-8-13(2)18(19)14(3)9-17/h5-10,21H,4,11-12H2,1-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264669
PNG
(US9718771, 2-3)
Show SMILES Cc1cc(ccc1Cl)N(CC1CC1)Cc1cccc(CO)c1
Show InChI InChI=1S/C19H22ClNO/c1-14-9-18(7-8-19(14)20)21(11-15-5-6-15)12-16-3-2-4-17(10-16)13-22/h2-4,7-10,15,22H,5-6,11-13H2,1H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264711
PNG
(US9718771, 6-3)
Show SMILES CCN(C1CCc2c1cccc2CN1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C23H27ClN2O2/c1-3-26(18-7-9-21(24)15(2)11-18)22-10-8-19-16(5-4-6-20(19)22)12-25-13-17(14-25)23(27)28/h4-7,9,11,17,22H,3,8,10,12-14H2,1-2H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264673
PNG
(US9718771, 2-8)
Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-2-19(14-6-7-15(17)16(18)9-14)10-12-4-3-5-13(8-12)11-20/h3-9,20H,2,10-11H2,1H3
PDB

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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264707
PNG
(US9718771, 4-2)
Show SMILES CCN(C(CO)c1cccc(c1)C#N)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H19ClN2O/c1-3-21(16-7-8-17(19)13(2)9-16)18(12-22)15-6-4-5-14(10-15)11-20/h4-10,18,22H,3,12H2,1-2H3
PDB

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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264681
PNG
(US9718771, 2-16)
Show SMILES CCN(C1CCCc2c(CO)cccc12)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C20H24ClNO/c1-3-22(16-10-11-19(21)14(2)12-16)20-9-5-7-17-15(13-23)6-4-8-18(17)20/h4,6,8,10-12,20,23H,3,5,7,9,13H2,1-2H3
PDB

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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264695
PNG
(US9718771, 2-39)
Show SMILES Cc1ccc2C(CCc2c1CN1CC(C1)C(O)=O)N(CCO)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N2O3/c1-14-2-4-18-17(19(14)13-29-11-15(12-29)23(32)33)5-7-22(18)30(8-9-31)16-3-6-21(25)20(10-16)24(26,27)28/h2-4,6,10,15,22,31H,5,7-9,11-13H2,1H3,(H,32,33)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264697
PNG
(US9718771, 2-43)
Show SMILES CCN(C(C)c1ccc(c(CN2CC(C2)C(O)=O)c1)C(F)(F)F)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C23H26ClF3N2O2/c1-4-29(19-6-8-21(24)14(2)9-19)15(3)16-5-7-20(23(25,26)27)17(10-16)11-28-12-18(13-28)22(30)31/h5-10,15,18H,4,11-13H2,1-3H3,(H,30,31)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264686
PNG
(US9718771, 2-24)
Show SMILES CCN(C1CCc2c1cccc2CN1CC(C1)C(O)=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O2/c1-2-29(16-6-8-20(24)19(10-16)23(25,26)27)21-9-7-17-14(4-3-5-18(17)21)11-28-12-15(13-28)22(30)31/h3-6,8,10,15,21H,2,7,9,11-13H2,1H3,(H,30,31)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264670
PNG
(US9718771, 2-4)
Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H17ClF3NO/c1-2-22(10-12-4-3-5-13(8-12)11-23)14-6-7-16(18)15(9-14)17(19,20)21/h3-9,23H,2,10-11H2,1H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264708
PNG
(US9718771, 5-1)
Show SMILES CCN([C@H](C)c1cccc(c1)C#N)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H19ClN2/c1-4-21(17-8-9-18(19)13(2)10-17)14(3)16-7-5-6-15(11-16)12-20/h5-11,14H,4H2,1-3H3/t14-/m1/s1
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264683
PNG
(US9718771, 2-18)
Show SMILES CCN(C1CCc2c1ccc(OC)c2CN1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C24H29ClN2O3/c1-4-27(17-5-8-21(25)15(2)11-17)22-9-6-18-19(22)7-10-23(30-3)20(18)14-26-12-16(13-26)24(28)29/h5,7-8,10-11,16,22H,4,6,9,12-14H2,1-3H3,(H,28,29)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264685
PNG
(US9718771, 2-22)
Show SMILES CCN(C1CCc2c1cc(C)cc2CN1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C24H29ClN2O2/c1-4-27(19-5-7-22(25)16(3)11-19)23-8-6-20-17(9-15(2)10-21(20)23)12-26-13-18(14-26)24(28)29/h5,7,9-11,18,23H,4,6,8,12-14H2,1-3H3,(H,28,29)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264667
PNG
(US9718771, 2-1)
Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C17H20ClNO/c1-3-19(16-7-8-17(18)13(2)9-16)11-14-5-4-6-15(10-14)12-20/h4-10,20H,3,11-12H2,1-2H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264690
PNG
(US9718771, 2-31)
Show SMILES CCN(C(C)c1ccc(F)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H26ClFN2O2/c1-4-26(19-6-7-20(23)14(2)9-19)15(3)16-5-8-21(24)17(10-16)11-25-12-18(13-25)22(27)28/h5-10,15,18H,4,11-13H2,1-3H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264687
PNG
(US9718771, 2-25)
Show SMILES CC(N(C)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C22H24ClF3N2O2/c1-13-4-5-15(8-16(13)10-28-11-17(12-28)21(29)30)14(2)27(3)18-6-7-20(23)19(9-18)22(24,25)26/h4-9,14,17H,10-12H2,1-3H3,(H,29,30)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264668
PNG
(US9718771, 2-2)
Show SMILES CCCN(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H22ClNO/c1-3-9-20(17-7-8-18(19)14(2)10-17)12-15-5-4-6-16(11-15)13-21/h4-8,10-11,21H,3,9,12-13H2,1-2H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264677
PNG
(US9718771, 2-12)
Show SMILES CCN(C(C)c1ccc(C=C)c(CO)c1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H21ClF3NO/c1-4-14-6-7-15(10-16(14)12-26)13(3)25(5-2)17-8-9-19(21)18(11-17)20(22,23)24/h4,6-11,13,26H,1,5,12H2,2-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264689
PNG
(US9718771, 2-30)
Show SMILES CCN(C(C)c1ccc(OC)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C23H29ClN2O3/c1-5-26(20-7-8-21(24)15(2)10-20)16(3)17-6-9-22(29-4)18(11-17)12-25-13-19(14-25)23(27)28/h6-11,16,19H,5,12-14H2,1-4H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264666
PNG
(US9718771, 1-2)
Show SMILES CN(Cc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C20H23ClN2O2/c1-14-8-18(6-7-19(14)21)22(2)10-15-4-3-5-16(9-15)11-23-12-17(13-23)20(24)25/h3-9,17H,10-13H2,1-2H3,(H,24,25)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264692
PNG
(US9718771, 2-33)
Show SMILES CC(N(C)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(Cl)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12(27(2)16-4-6-19(23)17(8-16)21(24,25)26)13-3-5-18(22)14(7-13)9-28-10-15(11-28)20(29)30/h3-8,12,15H,9-11H2,1-2H3,(H,29,30)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264694
PNG
(US9718771, 2-37)
Show SMILES CC(N(CCO)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C23H26ClF3N2O3/c1-14-3-4-16(9-17(14)11-28-12-18(13-28)22(31)32)15(2)29(7-8-30)19-5-6-21(24)20(10-19)23(25,26)27/h3-6,9-10,15,18,30H,7-8,11-13H2,1-2H3,(H,31,32)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264703
PNG
(US9718771, 3-1)
Show SMILES CCN(Cc1ccc(C)c(I)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C17H19ClIN/c1-4-20(15-7-8-16(18)13(3)9-15)11-14-6-5-12(2)17(19)10-14/h5-10H,4,11H2,1-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264698
PNG
(US9718771, 2-44)
Show SMILES CC(N(C)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C23H24F3N3O2/c1-14-4-5-16(8-18(14)11-29-12-19(13-29)22(30)31)15(2)28(3)20-7-6-17(10-27)21(9-20)23(24,25)26/h4-9,15,19H,11-13H2,1-3H3,(H,30,31)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264709
PNG
(US9718771, 6-1)
Show SMILES CCN(C(CO)c1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O3/c1-3-25(19-7-8-20(23)15(2)9-19)21(14-26)17-6-4-5-16(10-17)11-24-12-18(13-24)22(27)28/h4-10,18,21,26H,3,11-14H2,1-2H3,(H,27,28)
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264705
PNG
(US9718771, 3-7)
Show SMILES CC(N(C)c1ccc(Cl)c(C)c1)c1ccc(C)c(Br)c1
Show InChI InChI=1S/C17H19BrClN/c1-11-5-6-14(10-16(11)18)13(3)20(4)15-7-8-17(19)12(2)9-15/h5-10,13H,1-4H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264704
PNG
(US9718771, 3-4)
Show SMILES CCN(C(C)c1cccc(I)c1C)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H21ClIN/c1-5-21(15-9-10-17(19)12(2)11-15)14(4)16-7-6-8-18(20)13(16)3/h6-11,14H,5H2,1-4H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264678
PNG
(US9718771, 2-13)
Show SMILES CC(C)N(Cc1cccc(CO)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H22ClNO/c1-13(2)20(17-7-8-18(19)14(3)9-17)11-15-5-4-6-16(10-15)12-21/h4-10,13,21H,11-12H2,1-3H3
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KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264674
PNG
(US9718771, 2-9)
Show SMILES CCN(Cc1cccc(CO)c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl3NO/c1-2-20(9-11-4-3-5-12(6-11)10-21)13-7-14(17)16(19)15(18)8-13/h3-8,21H,2,9-10H2,1H3
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n/an/a 22.2n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264682
PNG
(US9718771, 2-17)
Show SMILES CCN(Cc1cccc(CO)c1C#N)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C18H19ClN2O/c1-3-21(16-7-8-18(19)13(2)9-16)11-14-5-4-6-15(12-22)17(14)10-20/h4-9,22H,3,11-12H2,1-2H3
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n/an/a 27.3n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM264713
PNG
(US9718771, Comparative1)
Show SMILES CC(Nc1ccc(Cl)c(C)c1)c1ccc(C)c(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C21H25ClN2O2/c1-13-4-5-16(9-17(13)10-24-11-18(12-24)21(25)26)15(3)23-19-6-7-20(22)14(2)8-19/h4-9,15,18,23H,10-12H2,1-3H3,(H,25,26)
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n/an/a 441n/an/an/an/an/an/a



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...


US Patent US9718771 (2017)

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