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Patent code US10676467

Compile Data Set for Download or QSAR
Found 113 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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450754
PNG
(US10676467, Compound TZ 35 110)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H19F4N3O4/c23-7-8-32-18-6-5-15(9-17(18)22(24,25)26)20-27-19(28-33-20)14-3-1-13(2-4-14)10-29-11-16(12-29)21(30)31/h1-6,9,16H,7-8,10-12H2,(H,30,31)
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n/an/a 2.63n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450758
PNG
(US10676467, Compound TZ 33 21)
Show SMILES CN(CCC(O)=O)Cc1ccc(cc1F)-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F4N3O3/c1-16-5-3-4-6-20(16)21-10-9-18(13-22(21)27(29,30)31)26-32-25(33-37-26)17-7-8-19(23(28)14-17)15-34(2)12-11-24(35)36/h3-10,13-14H,11-12,15H2,1-2H3,(H,35,36)
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n/an/a 3.80n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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n/an/a 3.90n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450771
PNG
(US10676467, Compound TZ 48 22)
Show SMILES OCCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C22H19F4N5O3/c23-8-10-33-19-6-5-16(11-18(19)22(24,25)26)21-27-20(29-34-21)15-3-1-14(2-4-15)12-31-13-17(7-9-32)28-30-31/h1-6,11,13,32H,7-10,12H2
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n/an/a 5.05n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450788
PNG
(US10676467, Compound TZ 48 65)
Show SMILES OC(=O)CCNCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C#N
Show InChI InChI=1S/C21H19FN4O4/c22-8-10-29-18-6-5-16(11-17(18)12-23)21-25-20(26-30-21)15-3-1-14(2-4-15)13-24-9-7-19(27)28/h1-6,11,24H,7-10,13H2,(H,27,28)
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n/an/a 6.30n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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n/an/a 6.67n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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n/an/a 6.70n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450784
PNG
(US10676467, Compound TZ 50 17)
Show SMILES CN1CCc2c([nH]c3ccc(OCc4ccc(C5CCCC5)c(c4)C(F)(F)F)cc23)C1CC(O)=O
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n/an/a 7.30n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450785
PNG
(US10676467, Compound TZ 43 91)
Show SMILES FCCOc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CN=[N+]=[N-])cc1
Show InChI InChI=1S/C18H13F4N5O2/c19-7-8-28-15-6-5-13(9-14(15)18(20,21)22)17-25-16(26-29-17)12-3-1-11(2-4-12)10-24-27-23/h1-6,9H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM50063864
PNG
(CHEMBL3403619 | US10676467, Compound TZ 50 13)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/a 8.34n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM22211
PNG
(1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...)
Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)
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n/an/a 8.53n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450770
PNG
(US10676467, Compound TZ 43 113)
Show SMILES OCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C21H17F4N5O3/c22-7-8-32-18-6-5-15(9-17(18)21(23,24)25)20-26-19(28-33-20)14-3-1-13(2-4-14)10-30-11-16(12-31)27-29-30/h1-6,9,11,31H,7-8,10,12H2
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n/an/a 9.65n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450753
PNG
(US10676467, Compound TZ 35 115)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)cc2)C1
Show InChI InChI=1S/C21H20FN3O4/c22-9-10-28-18-7-5-16(6-8-18)20-23-19(24-29-20)15-3-1-14(2-4-15)11-25-12-17(13-25)21(26)27/h1-8,17H,9-13H2,(H,26,27)
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n/an/a 9.94n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450765
PNG
(US10676467, Compound TZ 43 73)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c18-7-8-27-14-6-3-11(9-13(14)17(19,20)21)16-23-15(24-28-16)10-1-4-12(5-2-10)29(22,25)26/h1-6,9H,7-8H2,(H2,22,25,26)
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n/an/a 13.2n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450776
PNG
(US10676467, Compound TZ 43 153)
Show SMILES NNC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O3/c19-7-8-28-14-6-5-12(9-13(14)18(20,21)22)17-24-15(26-29-17)10-1-3-11(4-2-10)16(27)25-23/h1-6,9H,7-8,23H2,(H,25,27)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450729
PNG
(US10676467, Compound 8b | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C#N
Show InChI InChI=1S/C18H14FN3O3/c19-7-8-24-16-6-5-14(9-15(16)10-20)18-21-17(22-25-18)13-3-1-12(11-23)2-4-13/h1-6,9,23H,7-8,11H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450729
PNG
(US10676467, Compound 8b | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C#N
Show InChI InChI=1S/C18H14FN3O3/c19-7-8-24-16-6-5-14(9-15(16)10-20)18-21-17(22-25-18)13-3-1-12(11-23)2-4-13/h1-6,9,23H,7-8,11H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450781
PNG
(US10676467, Compound TZ 48 24)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N2O3/c20-8-1-9-27-16-7-6-14(10-15(16)19(21,22)23)18-24-17(25-28-18)13-4-2-12(11-26)3-5-13/h2-7,10,26H,1,8-9,11H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450735
PNG
(US10676467, Compound 8i)
Show SMILES OCCOc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N2O4/c20-7-9-28-16-6-3-13(11-15(16)19(21,22)23)18-24-17(25-29-18)12-1-4-14(5-2-12)27-10-8-26/h1-6,11,26H,7-10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450736
PNG
(US10676467, Compound 8k)
Show SMILES OCC(O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N2O4/c20-7-8-28-16-6-5-13(9-14(16)19(21,22)23)18-24-17(25-29-18)12-3-1-11(2-4-12)15(27)10-26/h1-6,9,15,26-27H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450775
PNG
(US10676467, Compound TZ 43 151 )
Show SMILES NC(CO)(CCc1ccc(CCCCCCCF)cc1)COP(O)(O)=O
Show InChI InChI=1S/C18H31FNO5P/c19-13-5-3-1-2-4-6-16-7-9-17(10-8-16)11-12-18(20,14-21)15-25-26(22,23)24/h7-10,21H,1-6,11-15,20H2,(H2,22,23,24)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450779
PNG
(US10676467, Compound TZ 43 146)
Show SMILES FCCOc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CNCl)cc1
Show InChI InChI=1S/C18H14ClF4N3O2/c19-24-10-11-1-3-12(4-2-11)16-25-17(28-26-16)13-5-6-15(27-8-7-20)14(9-13)18(21,22)23/h1-6,9,24H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450733
PNG
(US10676467, Compound 8g)
Show SMILES CN(CC(O)CO)Cc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O4/c1-29(12-17(31)13-30)11-14-2-4-15(5-3-14)20-27-21(33-28-20)16-6-7-19(32-9-8-23)18(10-16)22(24,25)26/h2-7,10,17,30-31H,8-9,11-13H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450768
PNG
(US10676467, Compound TZ 43 102)
Show SMILES CS(=O)(=O)NCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F4N3O4S/c1-31(27,28)24-11-12-2-4-13(5-3-12)17-25-18(30-26-17)14-6-7-16(29-9-8-20)15(10-14)19(21,22)23/h2-7,10,24H,8-9,11H2,1H3
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450761
PNG
(US10676467, Compound TZ 43 57)
Show SMILES Cc1ccccc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CN(CCF)CCC(O)=O)c(F)c1
Show InChI InChI=1S/C28H24F5N3O3/c1-17-4-2-3-5-21(17)22-9-8-19(14-23(22)28(31,32)33)27-34-26(35-39-27)18-6-7-20(24(30)15-18)16-36(13-11-29)12-10-25(37)38/h2-9,14-15H,10-13,16H2,1H3,(H,37,38)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450774
PNG
(US10676467, Compound TZ 43 143)
Show SMILES OCCNC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F4N3O4/c21-7-10-30-16-6-5-14(11-15(16)20(22,23)24)19-26-17(27-31-19)12-1-3-13(4-2-12)18(29)25-8-9-28/h1-6,11,28H,7-10H2,(H,25,29)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450755
PNG
(US10676467, Compound TZ 35 124)
Show SMILES OC(=O)C1CCN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H23F4N3O4/c25-9-12-34-20-6-5-18(13-19(20)24(26,27)28)22-29-21(30-35-22)16-3-1-15(2-4-16)14-31-10-7-17(8-11-31)23(32)33/h1-6,13,17H,7-12,14H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450732
PNG
(US10676467, Compound 8f)
Show SMILES CN(CCO)Cc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F4N3O3/c1-28(9-10-29)13-14-2-4-15(5-3-14)19-26-20(31-27-19)16-6-7-18(30-11-8-22)17(12-16)21(23,24)25/h2-7,12,29H,8-11,13H2,1H3
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450763
PNG
(US10676467, Compound TZ 43 18)
Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CO)cc1
Show InChI InChI=1S/C17H13F3N2O3/c1-24-14-7-6-12(8-13(14)17(18,19)20)16-21-15(22-25-16)11-4-2-10(9-23)3-5-11/h2-8,23H,9H2,1H3
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450731
PNG
(US10676467, Compound 8e)
Show SMILES OCCNCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N3O3/c21-7-10-29-17-6-5-15(11-16(17)20(22,23)24)19-26-18(27-30-19)14-3-1-13(2-4-14)12-25-8-9-28/h1-6,11,25,28H,7-10,12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450766
PNG
(US10676467, Compound TZ 43 77)
Show SMILES NC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H13F4N3O3/c19-7-8-27-14-6-5-12(9-13(14)18(20,21)22)17-24-16(25-28-17)11-3-1-10(2-4-11)15(23)26/h1-6,9H,7-8H2,(H2,23,26)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450772
PNG
(US10676467, Compound TZ 43 117)
Show SMILES OC(=O)C1CCN(CC1)c1cccc(c1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4N3O4/c24-8-11-33-19-5-4-16(13-18(19)23(25,26)27)21-28-20(29-34-21)15-2-1-3-17(12-15)30-9-6-14(7-10-30)22(31)32/h1-5,12-14H,6-11H2,(H,31,32)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450759
PNG
(US10676467, Compound TZ 33 37)
Show SMILES CN(CCC(O)=O)Cc1ccc(cc1F)-c1noc(n1)-c1ccc(-c2ccccc2OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F5N3O4/c1-36(12-10-25(37)38)16-19-7-6-17(15-23(19)30)26-34-27(40-35-26)18-8-9-20(22(14-18)28(31,32)33)21-4-2-3-5-24(21)39-13-11-29/h2-9,14-15H,10-13,16H2,1H3,(H,37,38)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450743
PNG
(US10676467, Compound 12f)
Show SMILES OCCNCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O4/c23-7-11-32-19-6-5-17(13-18(19)22(24,25)26)21-28-20(29-33-21)16-3-1-15(2-4-16)14-31-12-9-27-8-10-30/h1-6,13,27,30H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450762
PNG
(US10676467, Compound TZ 35 139)
Show SMILES OC(=O)C1CN(Cc2ccc3oc(nc3c2)-c2ccc(-c3ccc(OCCF)nc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C26H21F4N3O4/c27-7-8-36-23-6-3-17(11-31-23)19-4-2-16(10-20(19)26(28,29)30)24-32-21-9-15(1-5-22(21)37-24)12-33-13-18(14-33)25(34)35/h1-6,9-11,18H,7-8,12-14H2,(H,34,35)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450778
PNG
(US10676467, Compound TZ 43 158)
Show SMILES OCC(CO)NCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F4N3O4/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-27-19(28-32-20)14-3-1-13(2-4-14)10-26-16(11-29)12-30/h1-6,9,16,26,29-30H,7-8,10-12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450737
PNG
(US10676467, Compound 10a)
Show SMILES OCN(CO)Cc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N3O4/c21-7-8-30-17-6-5-15(9-16(17)20(22,23)24)19-25-18(26-31-19)14-3-1-13(2-4-14)10-27(11-28)12-29/h1-6,9,28-29H,7-8,10-12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450749
PNG
(US10676467, Compound TZ 35 73)
Show SMILES OC(=O)C1CN(Cc2ccc3oc(nc3c2)-c2ccc(-c3ccc(F)nc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H17F4N3O3/c25-21-6-3-15(9-29-21)17-4-2-14(8-18(17)24(26,27)28)22-30-19-7-13(1-5-20(19)34-22)10-31-11-16(12-31)23(32)33/h1-9,16H,10-12H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450750
PNG
(US10676467, Compound TZ 31 120)
Show SMILES COc1cccc(c1)-c1ccc(cc1C(F)(F)F)-c1nc2cc(ccc2o1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C27H23F3N2O4/c1-35-20-4-2-3-17(13-20)21-7-5-18(14-22(21)27(28,29)30)25-31-23-15-19(6-8-24(23)36-25)32-11-9-16(10-12-32)26(33)34/h2-8,13-16H,9-12H2,1H3,(H,33,34)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450787
PNG
(US10676467, Compound TZ 48 60)
Show SMILES OC(=O)CNCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C#N
Show InChI InChI=1S/C20H17FN4O4/c21-7-8-28-17-6-5-15(9-16(17)10-22)20-24-19(25-29-20)14-3-1-13(2-4-14)11-23-12-18(26)27/h1-6,9,23H,7-8,11-12H2,(H,26,27)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450769
PNG
(US10676467, Compound TZ 43 107)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4N3O4/c24-9-12-33-19-6-3-16(13-18(19)23(25,26)27)21-28-20(29-34-21)14-1-4-17(5-2-14)30-10-7-15(8-11-30)22(31)32/h1-6,13,15H,7-12H2,(H,31,32)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450767
PNG
(US10676467, Compound TZ 43 26)
Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H18F3N3O4/c1-30-17-7-6-14(8-16(17)21(22,23)24)19-25-18(26-31-19)13-4-2-12(3-5-13)9-27-10-15(11-27)20(28)29/h2-8,15H,9-11H2,1H3,(H,28,29)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450741
PNG
(US10676467, Compound 12c)
Show SMILES OCCOCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N2O6/c25-7-9-35-21-6-5-19(15-20(21)24(26,27)28)23-29-22(30-36-23)18-3-1-17(2-4-18)16-34-14-13-33-12-11-32-10-8-31/h1-6,15,31H,7-14,16H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450748
PNG
(US10676467, Compound TZ 31 56)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccc(OCCF)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F4N2O4/c29-11-14-37-21-5-1-17(2-6-21)22-7-3-19(15-23(22)28(30,31)32)26-33-24-16-20(4-8-25(24)38-26)34-12-9-18(10-13-34)27(35)36/h1-8,15-16,18H,9-14H2,(H,35,36)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450738
PNG
(US10676467, Compound 10b | US10676467, Compound TZ...)
Show SMILES OCC1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H21F4N3O3/c23-7-8-31-19-6-5-17(9-18(19)22(24,25)26)21-27-20(28-32-21)16-3-1-14(2-4-16)10-29-11-15(12-29)13-30/h1-6,9,15,30H,7-8,10-13H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450738
PNG
(US10676467, Compound 10b | US10676467, Compound TZ...)
Show SMILES OCC1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H21F4N3O3/c23-7-8-31-19-6-5-17(9-18(19)22(24,25)26)21-27-20(28-32-21)16-3-1-14(2-4-16)10-29-11-15(12-29)13-30/h1-6,9,15,30H,7-8,10-13H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450742
PNG
(US10676467, Compound 12d)
Show SMILES OCCOCCOCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F4N2O7/c27-7-9-38-23-6-5-21(17-22(23)26(28,29)30)25-31-24(32-39-25)20-3-1-19(2-4-20)18-37-16-15-36-14-13-35-12-11-34-10-8-33/h1-6,17,33H,7-16,18H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450744
PNG
(US10676467, Compound 12gb)
Show SMILES CN(CCO)CCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N3O4/c1-30(9-11-31)10-13-32-15-16-2-4-17(5-3-16)21-28-22(34-29-21)18-6-7-20(33-12-8-24)19(14-18)23(25,26)27/h2-7,14,31H,8-13,15H2,1H3
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450764
PNG
(US10676467, Compound TZ 43 83)
Show SMILES NC1CCN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H24F4N4O2/c24-9-12-32-20-6-5-17(13-19(20)23(25,26)27)22-29-21(30-33-22)16-3-1-15(2-4-16)14-31-10-7-18(28)8-11-31/h1-6,13,18H,7-12,14,28H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450757
PNG
(US10676467, Compound TZ 14 50)
Show SMILES CCOc1cc(ccc1OCCF)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C17H16FN3O3/c1-2-22-15-11-13(3-4-14(15)23-10-7-18)17-20-16(21-24-17)12-5-8-19-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450775
PNG
(US10676467, Compound TZ 43 151 )
Show SMILES NC(CO)(CCc1ccc(CCCCCCCF)cc1)COP(O)(O)=O
Show InChI InChI=1S/C18H31FNO5P/c19-13-5-3-1-2-4-6-16-7-9-17(10-8-16)11-12-18(20,14-21)15-25-26(22,23)24/h7-10,21H,1-6,11-15,20H2,(H2,22,23,24)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450777
PNG
(US10676467, Compound TZ 43 157)
Show SMILES ONC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H13F4N3O4/c19-7-8-28-14-6-5-12(9-13(14)18(20,21)22)17-23-15(25-29-17)10-1-3-11(4-2-10)16(26)24-27/h1-6,9,27H,7-8H2,(H,24,26)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450751
PNG
(US10676467, Compound TZ 31 85)
Show SMILES OC(=O)c1ccc(s1)-c1ccc2oc(nc2c1)-c1ccc(-c2ccc(F)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H13F4NO3S/c26-16-5-1-13(2-6-16)17-7-3-15(11-18(17)25(27,28)29)23-30-19-12-14(4-8-20(19)33-23)21-9-10-22(34-21)24(31)32/h1-12H,(H,31,32)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450745
PNG
(US10676467, Compound TZ 31 39 | US10676467, Compou...)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccc(F)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F4N2O3/c27-18-4-1-15(2-5-18)20-7-3-17(13-21(20)26(28,29)30)24-31-22-14-19(6-8-23(22)35-24)32-11-9-16(10-12-32)25(33)34/h1-8,13-14,16H,9-12H2,(H,33,34)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450745
PNG
(US10676467, Compound TZ 31 39 | US10676467, Compou...)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccc(F)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F4N2O3/c27-18-4-1-15(2-5-18)20-7-3-17(13-21(20)26(28,29)30)24-31-22-14-19(6-8-23(22)35-24)32-11-9-16(10-12-32)25(33)34/h1-8,13-14,16H,9-12H2,(H,33,34)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450756
PNG
(US10676467, Compound TZ 35 126)
Show SMILES FCCOc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CNCc2nnn[nH]2)cc1
Show InChI InChI=1S/C20H17F4N7O2/c21-7-8-32-16-6-5-14(9-15(16)20(22,23)24)19-26-18(29-33-19)13-3-1-12(2-4-13)10-25-11-17-27-30-31-28-17/h1-6,9,25H,7-8,10-11H2,(H,27,28,30,31)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450746
PNG
(US10676467, Compound TZ 31 53)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F4N2O4/c29-11-14-37-24-4-2-1-3-21(24)20-7-5-18(15-22(20)28(30,31)32)26-33-23-16-19(6-8-25(23)38-26)34-12-9-17(10-13-34)27(35)36/h1-8,15-17H,9-14H2,(H,35,36)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450770
PNG
(US10676467, Compound TZ 43 113)
Show SMILES OCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C21H17F4N5O3/c22-7-8-32-18-6-5-15(9-17(18)21(23,24)25)20-26-19(28-33-20)14-3-1-13(2-4-14)10-30-11-16(12-31)27-29-30/h1-6,9,11,31H,7-8,10,12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450773
PNG
(US10676467, Compound TZ 43 140)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H12F4N2O4/c19-7-8-27-14-6-5-12(9-13(14)18(20,21)22)16-23-15(24-28-16)10-1-3-11(4-2-10)17(25)26/h1-6,9H,7-8H2,(H,25,26)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450784
PNG
(US10676467, Compound TZ 50 17)
Show SMILES CN1CCc2c([nH]c3ccc(OCc4ccc(C5CCCC5)c(c4)C(F)(F)F)cc23)C1CC(O)=O
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM22211
PNG
(1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...)
Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450776
PNG
(US10676467, Compound TZ 43 153)
Show SMILES NNC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O3/c19-7-8-28-14-6-5-12(9-13(14)18(20,21)22)17-24-15(26-29-17)10-1-3-11(4-2-10)16(27)25-23/h1-6,9H,7-8,23H2,(H,25,27)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450776
PNG
(US10676467, Compound TZ 43 153)
Show SMILES NNC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O3/c19-7-8-28-14-6-5-12(9-13(14)18(20,21)22)17-24-15(26-29-17)10-1-3-11(4-2-10)16(27)25-23/h1-6,9H,7-8,23H2,(H,25,27)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450755
PNG
(US10676467, Compound TZ 35 124)
Show SMILES OC(=O)C1CCN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H23F4N3O4/c25-9-12-34-20-6-5-18(13-19(20)24(26,27)28)22-29-21(30-35-22)16-3-1-15(2-4-16)14-31-10-7-17(8-11-31)23(32)33/h1-6,13,17H,7-12,14H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450765
PNG
(US10676467, Compound TZ 43 73)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c18-7-8-27-14-6-3-11(9-13(14)17(19,20)21)16-23-15(24-28-16)10-1-4-12(5-2-10)29(22,25)26/h1-6,9H,7-8H2,(H2,22,25,26)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450771
PNG
(US10676467, Compound TZ 48 22)
Show SMILES OCCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C22H19F4N5O3/c23-8-10-33-19-6-5-16(11-18(19)22(24,25)26)21-27-20(29-34-21)15-3-1-14(2-4-15)12-31-13-17(7-9-32)28-30-31/h1-6,11,13,32H,7-10,12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450784
PNG
(US10676467, Compound TZ 50 17)
Show SMILES CN1CCc2c([nH]c3ccc(OCc4ccc(C5CCCC5)c(c4)C(F)(F)F)cc23)C1CC(O)=O
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM450734
PNG
(US10676467, Compound 8h)
Show SMILES OCC(O)COCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N2O5/c22-7-8-31-18-6-5-15(9-17(18)21(23,24)25)20-26-19(27-32-20)14-3-1-13(2-4-14)11-30-12-16(29)10-28/h1-6,9,16,28-29H,7-8,10-12H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450765
PNG
(US10676467, Compound TZ 43 73)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c18-7-8-27-14-6-3-11(9-13(14)17(19,20)21)16-23-15(24-28-16)10-1-4-12(5-2-10)29(22,25)26/h1-6,9H,7-8H2,(H2,22,25,26)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450775
PNG
(US10676467, Compound TZ 43 151 )
Show SMILES NC(CO)(CCc1ccc(CCCCCCCF)cc1)COP(O)(O)=O
Show InChI InChI=1S/C18H31FNO5P/c19-13-5-3-1-2-4-6-16-7-9-17(10-8-16)11-12-18(20,14-21)15-25-26(22,23)24/h7-10,21H,1-6,11-15,20H2,(H2,22,23,24)
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US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50063864
PNG
(CHEMBL3403619 | US10676467, Compound TZ 50 13)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450728
PNG
(US10676467, Compound 8a)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C17H15FN2O3/c18-9-10-22-15-7-5-14(6-8-15)17-19-16(20-23-17)13-3-1-12(11-21)2-4-13/h1-8,21H,9-11H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450758
PNG
(US10676467, Compound TZ 33 21)
Show SMILES CN(CCC(O)=O)Cc1ccc(cc1F)-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F4N3O3/c1-16-5-3-4-6-20(16)21-10-9-18(13-22(21)27(29,30)31)26-32-25(33-37-26)17-7-8-19(23(28)14-17)15-34(2)12-11-24(35)36/h3-10,13-14H,11-12,15H2,1-2H3,(H,35,36)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450755
PNG
(US10676467, Compound TZ 35 124)
Show SMILES OC(=O)C1CCN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H23F4N3O4/c25-9-12-34-20-6-5-18(13-19(20)24(26,27)28)22-29-21(30-35-22)16-3-1-15(2-4-16)14-31-10-7-17(8-11-31)23(32)33/h1-6,13,17H,7-12,14H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450753
PNG
(US10676467, Compound TZ 35 115)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)cc2)C1
Show InChI InChI=1S/C21H20FN3O4/c22-9-10-28-18-7-5-16(6-8-18)20-23-19(24-29-20)15-3-1-14(2-4-15)11-25-12-17(13-25)21(26)27/h1-8,17H,9-13H2,(H,26,27)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM22211
PNG
(1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...)
Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450740
PNG
(US10676467, Compound 12b)
Show SMILES OCCOCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O5/c23-7-9-32-19-6-5-17(13-18(19)22(24,25)26)21-27-20(28-33-21)16-3-1-15(2-4-16)14-31-12-11-30-10-8-29/h1-6,13,29H,7-12,14H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450771
PNG
(US10676467, Compound TZ 48 22)
Show SMILES OCCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C22H19F4N5O3/c23-8-10-33-19-6-5-16(11-18(19)22(24,25)26)21-27-20(29-34-21)15-3-1-14(2-4-15)12-31-13-17(7-9-32)28-30-31/h1-6,11,13,32H,7-10,12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450754
PNG
(US10676467, Compound TZ 35 110)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H19F4N3O4/c23-7-8-32-18-6-5-15(9-17(18)22(24,25)26)20-27-19(28-33-20)14-3-1-13(2-4-14)10-29-11-16(12-29)21(30)31/h1-6,9,16H,7-8,10-12H2,(H,30,31)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50063864
PNG
(CHEMBL3403619 | US10676467, Compound TZ 50 13)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450770
PNG
(US10676467, Compound TZ 43 113)
Show SMILES OCc1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C21H17F4N5O3/c22-7-8-32-18-6-5-15(9-17(18)21(23,24)25)20-26-19(28-33-20)14-3-1-13(2-4-14)10-30-11-16(12-31)27-29-30/h1-6,9,11,31H,7-8,10,12H2
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450758
PNG
(US10676467, Compound TZ 33 21)
Show SMILES CN(CCC(O)=O)Cc1ccc(cc1F)-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F4N3O3/c1-16-5-3-4-6-20(16)21-10-9-18(13-22(21)27(29,30)31)26-32-25(33-37-26)17-7-8-19(23(28)14-17)15-34(2)12-11-24(35)36/h3-10,13-14H,11-12,15H2,1-2H3,(H,35,36)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450754
PNG
(US10676467, Compound TZ 35 110)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C22H19F4N3O4/c23-7-8-32-18-6-5-15(9-17(18)22(24,25)26)20-27-19(28-33-20)14-3-1-13(2-4-14)10-29-11-16(12-29)21(30)31/h1-6,9,16H,7-8,10-12H2,(H,30,31)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM450753
PNG
(US10676467, Compound TZ 35 115)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(OCCF)cc2)C1
Show InChI InChI=1S/C21H20FN3O4/c22-9-10-28-18-7-5-16(6-8-18)20-23-19(24-29-20)15-3-1-14(2-4-15)11-25-12-17(13-25)21(26)27/h1-8,17H,9-13H2,(H,26,27)
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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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antibodypedia
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US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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


(Homo sapiens (Human))
BDBM450780
PNG
(US10676467, Compound TZ 48 10)
Show SMILES OC(=O)C1CN(C1)c1cccc(c1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N3O4/c22-6-7-31-17-5-4-13(9-16(17)21(23,24)25)19-26-18(27-32-19)12-2-1-3-15(8-12)28-10-14(11-28)20(29)30/h1-5,8-9,14H,6-7,10-11H2,(H,29,30)
PDB

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Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM450730
PNG
(US10676467, Compound 8c | US10676467, Compound TZ ...)
Show SMILES OCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O3/c19-7-8-26-15-6-5-13(9-14(15)18(20,21)22)17-23-16(24-27-17)12-3-1-11(10-25)2-4-12/h1-6,9,25H,7-8,10H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM450739
PNG
(US10676467, Compound 12a)
Show SMILES OCCOCc1ccc(cc1)-c1noc(n1)-c1ccc(OCCF)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N2O4/c21-7-9-29-17-6-5-15(11-16(17)20(22,23)24)19-25-18(26-30-19)14-3-1-13(2-4-14)12-28-10-8-27/h1-6,11,27H,7-10,12H2
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University

US Patent


Assay Description
Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur...


US Patent US10676467 (2020)

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