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Patent code US9522888

Compile Data Set for Download or QSAR

Found 952 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))
BDBM258466
PNG
(US9522888, 689)
Show SMILES COCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM258467
PNG
(US9522888, 692)
Show SMILES COCCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM258474
PNG
(US9522888, 690)
Show SMILES COCCCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM258468
PNG
(US9522888, 693)
Show SMILES COc1cccc(CC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19-,23+,25-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65164
PNG
(US9522888, 512)
Show SMILES CCCCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65170
PNG
(US9522888, 519)
Show SMILES CC(C)(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO4PS/c1-22(2,3)10-11-30-15-17-4-5-19-13-20(7-6-18(19)12-17)21-8-9-23(24,14-21)16-28-29(25,26)27/h6-7,13,17,21H,4-5,8-12,14-16,24H2,1-3H3,(H2,25,26,27)/t17-,21+,23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65172
PNG
(US9522888, 521)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CSCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24-,25+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65255
PNG
(US9522888, 581)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1ccccc1
Show InChI InChI=1S/C25H34NO6P/c26-25(18-32-33(27,28)29)11-10-23(16-25)21-6-7-22-15-24(9-8-20(22)14-21)31-13-12-30-17-19-4-2-1-3-5-19/h1-7,14,23-24H,8-13,15-18,26H2,(H2,27,28,29)/t23-,24+,25+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65262
PNG
(US9522888, 587)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1
Show InChI InChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65265
PNG
(US9522888, 592)
Show SMILES CCCCOCCO[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO6P/c1-2-3-10-27-11-12-28-21-7-6-17-13-18(4-5-19(17)14-21)20-8-9-22(23,15-20)16-29-30(24,25)26/h4-5,13,20-21H,2-3,6-12,14-16,23H2,1H3,(H2,24,25,26)/t20-,21-,22+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65292
PNG
(US9522888, 608)
Show SMILES COc1cc(CC[C@H]2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)ccc1F
Show InChI InChI=1S/C25H33FNO5P/c1-31-24-13-18(5-9-23(24)26)3-2-17-4-6-20-14-21(8-7-19(20)12-17)22-10-11-25(27,15-22)16-32-33(28,29)30/h5,7-9,13-14,17,22H,2-4,6,10-12,15-16,27H2,1H3,(H2,28,29,30)/t17-,22+,25-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65041
PNG
(US9522888, 412)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO7P/c1-2-3-4-9-25-12-17-13-26-19-10-15(5-6-18(19)28-17)16-7-8-20(21,11-16)14-27-29(22,23)24/h5-6,10,16-17H,2-4,7-9,11-14,21H2,1H3,(H2,22,23,24)/t16-,17+,20+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65049
PNG
(US9522888, 421)
Show SMILES CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20?,21+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65089
PNG
(US9522888, 455)
Show SMILES CC\C=C/COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h3-4,7-8,13,17,21H,2,5-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/b4-3-/t17-,21+,22-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65095
PNG
(US9522888, 460 | US9522888, 462)
Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H36NO5P/c1-2-3-4-5-12-28-16-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23(24,15-22)17-29-30(25,26)27/h4-5,8-9,14,18,22H,2-3,6-7,10-13,15-17,24H2,1H3,(H2,25,26,27)/b5-4+/t18-,22+,23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65077
PNG
(US9522888, 444)
Show SMILES CCOc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO6P/c1-2-30-23-5-3-4-18(12-23)16-31-24-9-8-19-13-20(6-7-21(19)14-24)22-10-11-25(26,15-22)17-32-33(27,28)29/h3-7,12-13,22,24H,2,8-11,14-17,26H2,1H3,(H2,27,28,29)/t22-,24+,25+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65125
PNG
(US9522888, 481)
Show SMILES COc1cccc(COC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO6P/c1-30-24-4-2-3-18(12-24)15-31-16-19-5-6-21-13-22(8-7-20(21)11-19)23-9-10-25(26,14-23)17-32-33(27,28)29/h2-4,7-8,12-13,19,23H,5-6,9-11,14-17,26H2,1H3,(H2,27,28,29)/t19-,23-,25+/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65165
PNG
(US9522888, 513)
Show SMILES CCCCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65193
PNG
(US9522888, 535)
Show SMILES CCCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65198
PNG
(US9522888, 539)
Show SMILES CC(C)CSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65227
PNG
(US9522888, 558)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCC3CCOCC3)CCc2c1
Show InChI InChI=1S/C23H36NO5P/c24-23(16-29-30(25,26)27)10-7-22(15-23)21-6-5-19-13-18(3-4-20(19)14-21)2-1-17-8-11-28-12-9-17/h5-6,14,17-18,22H,1-4,7-13,15-16,24H2,(H2,25,26,27)/t18-,22+,23-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65256
PNG
(US9522888, 582)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOc1ccccc1
Show InChI InChI=1S/C24H32NO6P/c25-24(17-31-32(26,27)28)11-10-21(16-24)19-6-7-20-15-23(9-8-18(20)14-19)30-13-12-29-22-4-2-1-3-5-22/h1-7,14,21,23H,8-13,15-17,25H2,(H2,26,27,28)/t21-,23+,24+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65274
PNG
(US9522888, 599)
Show SMILES COCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65282
PNG
(US9522888, 602)
Show SMILES CC(C)OCCC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-16(2)27-11-3-4-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)15-28-29(24,25)26/h7-8,13,16-17,21H,3-6,9-12,14-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65321
PNG
(US9522888, 636 | US9522888, 637)
Show SMILES CCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h5-6,9-10,14,17,21H,2-4,7-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b6-5+/t17-,21+,22-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65354
PNG
(US9522888, 661)
Show SMILES C\C=C/CCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22+,23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65084
PNG
(US9522888, 450)
Show SMILES CCCCCCCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C27H46NO5P/c1-2-3-4-5-6-7-8-9-16-32-20-22-10-11-24-18-25(13-12-23(24)17-22)26-14-15-27(28,19-26)21-33-34(29,30)31/h12-13,18,22,26H,2-11,14-17,19-21,28H2,1H3,(H2,29,30,31)/t22-,26-,27+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65100
PNG
(US9522888, 464)
Show SMILES CC(C)(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO5P/c1-22(2,3)10-11-28-15-17-4-5-19-13-20(7-6-18(19)12-17)21-8-9-23(24,14-21)16-29-30(25,26)27/h6-7,13,17,21H,4-5,8-12,14-16,24H2,1-3H3,(H2,25,26,27)/t17-,21+,23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65059
PNG
(US9522888, 429)
Show SMILES CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20-,21-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65068
PNG
(US9522888, 437 | US9522888, 440)
Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21-,22+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65114
PNG
(US9522888, 474)
Show SMILES Cc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1
Show InChI InChI=1S/C25H34NO5P/c1-18-2-4-19(5-3-18)15-30-16-20-6-7-22-13-23(9-8-21(22)12-20)24-10-11-25(26,14-24)17-31-32(27,28)29/h2-5,8-9,13,20,24H,6-7,10-12,14-17,26H2,1H3,(H2,27,28,29)/t20-,24+,25-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65134
PNG
(US9522888, 491)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC
Show InChI InChI=1S/C25H34NO7P/c1-30-23-8-7-22(13-24(23)31-2)32-15-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-25(26,14-21)16-33-34(27,28)29/h5-8,12-13,17,21H,3-4,9-11,14-16,26H2,1-2H3,(H2,27,28,29)/t17-,21+,25-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65135
PNG
(US9522888, 493)
Show SMILES CC1(C)CC(CC(C)(C)C1)OC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C27H44NO5P/c1-25(2)14-24(15-26(3,4)17-25)32-16-19-5-6-21-12-22(8-7-20(21)11-19)23-9-10-27(28,13-23)18-33-34(29,30)31/h7-8,12,19,23-24H,5-6,9-11,13-18,28H2,1-4H3,(H2,29,30,31)/t19-,23+,27-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65156
PNG
(US9522888, 506)
Show SMILES CCCCSC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65185
PNG
(US9522888, 529)
Show SMILES COc1ccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1
Show InChI InChI=1S/C24H32NO5PS/c1-29-22-6-8-23(9-7-22)32-15-17-2-3-19-13-20(5-4-18(19)12-17)21-10-11-24(25,14-21)16-30-31(26,27)28/h4-9,13,17,21H,2-3,10-12,14-16,25H2,1H3,(H2,26,27,28)/t17-,21+,24-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65271
PNG
(US9522888, 596)
Show SMILES COCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO5P/c1-26-11-3-2-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65306
PNG
(US9522888, 623)
Show SMILES CCCCCC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO6P/c1-2-3-4-5-21(24)29-20-9-8-16-12-17(6-7-18(16)13-20)19-10-11-22(23,14-19)15-28-30(25,26)27/h6-7,12,19-20H,2-5,8-11,13-15,23H2,1H3,(H2,25,26,27)/t19-,20?,22+/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65316
PNG
(US9522888, 630)
Show SMILES CCCCC1CCCC2(CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)O1
Show InChI InChI=1S/C24H38NO5P/c1-2-3-5-22-6-4-11-24(30-22)13-10-19-14-18(7-8-20(19)16-24)21-9-12-23(25,15-21)17-29-31(26,27)28/h7-8,14,21-22H,2-6,9-13,15-17,25H2,1H3,(H2,26,27,28)/t21-,22?,23+,24?/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65347
PNG
(US9522888, 655)
Show SMILES CCC\C=C/C[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h4-5,9-10,14,17,21H,2-3,6-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b5-4-/t17-,21-,22+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65091
PNG
(US9522888, 457)
Show SMILES CC(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-16(2)8-10-27-14-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-28-29(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65092
PNG
(US9522888, 458 | US9522888, 465)
Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO6P/c1-26-9-2-10-27-14-16-3-4-18-12-19(6-5-17(18)11-16)20-7-8-21(22,13-20)15-28-29(23,24)25/h5-6,12,16,20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65119
PNG
(US9522888, 477)
Show SMILES COc1cncc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C23H31N2O6P/c1-29-21-10-22(13-25-12-21)30-14-16-2-3-18-9-19(5-4-17(18)8-16)20-6-7-23(24,11-20)15-31-32(26,27)28/h4-5,9-10,12-13,16,20H,2-3,6-8,11,14-15,24H2,1H3,(H2,26,27,28)/t16-,20+,23-/m1/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65140
PNG
(US9522888, 496)
Show SMILES Cc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)nn1C
Show InChI InChI=1S/C22H32N3O5P/c1-15-9-21(24-25(15)2)29-13-16-3-4-18-11-19(6-5-17(18)10-16)20-7-8-22(23,12-20)14-30-31(26,27)28/h5-6,9,11,16,20H,3-4,7-8,10,12-14,23H2,1-2H3,(H2,26,27,28)/t16-,20+,22-/m1/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65173
PNG
(US9522888, 522)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/m1/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65191
PNG
(US9522888, 533)
Show SMILES CCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO4PS/c1-2-27-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-25-26(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65197
PNG
(US9522888, 538)
Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65295
PNG
(US9522888, 611)
Show SMILES COC(C)CCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO5P/c1-17(28-2)5-3-4-6-18-7-8-20-14-21(10-9-19(20)13-18)22-11-12-23(24,15-22)16-29-30(25,26)27/h9-10,14,17-18,22H,3-8,11-13,15-16,24H2,1-2H3,(H2,25,26,27)/t17?,18-,22+,23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65236
PNG
(US9522888, 566)
Show SMILES CN1C=NCC1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34N3O4P/c1-25-15-24-13-21(25)7-3-16-2-4-18-11-19(6-5-17(18)10-16)20-8-9-22(23,12-20)14-29-30(26,27)28/h5-6,11,15-16,20-21H,2-4,7-10,12-14,23H2,1H3,(H2,26,27,28)/t16-,20-,21?,22+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65350
PNG
(US9522888, 658)
Show SMILES CC\C=C\CC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h3-4,9-10,14,17,21H,2,5-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b4-3+/t17-,21-,22+/m0/s1
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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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


(Homo sapiens (Human))
BDBM65351
PNG
(US9522888, 659)
Show SMILES C\C=C\CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2+/t18-,22-,23+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


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