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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 9241   
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 1


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313363
PNG
(US10166249, Example 599 | US10709719, Example 692)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693 | US10709719, Example 694 ...)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM451421
PNG
(US10709719, Example 668)
Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM451421
PNG
(US10709719, Example 668)
Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65041
PNG
(US10166249, Example 412 | US10709719, Example 412 ...)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65041
PNG
(US10166249, Example 412 | US10709719, Example 412 ...)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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n/an/a 48.7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313179
PNG
(US10166249, Example 697 | US10166249, Example 698 ...)
Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313178
PNG
(US10166249, Example 695 | US10709719, Example 696 ...)
Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(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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n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM258471
PNG
(US10166249, Example 699 | US10709719, Example 699 ...)
Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,25-/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65358
PNG
(US10166249, Example 667 | US10709719, Example 667 ...)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CS(=O)c3ccccc3)CCc2c1 |r|
Show InChI InChI=1S/C23H30NO5PS/c24-23(16-29-30(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-31(28)22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+,31?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65358
PNG
(US10166249, Example 667 | US10709719, Example 667 ...)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CS(=O)c3ccccc3)CCc2c1 |r|
Show InChI InChI=1S/C23H30NO5PS/c24-23(16-29-30(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-31(28)22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+,31?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65358
PNG
(US10166249, Example 667 | US10709719, Example 667 ...)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CS(=O)c3ccccc3)CCc2c1 |r|
Show InChI InChI=1S/C23H30NO5PS/c24-23(16-29-30(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-31(28)22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+,31?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65041
PNG
(US10166249, Example 412 | US10709719, Example 412 ...)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM451421
PNG
(US10709719, Example 668)
Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313178
PNG
(US10166249, Example 695 | US10709719, Example 696 ...)
Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(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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n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313178
PNG
(US10166249, Example 695 | US10709719, Example 696 ...)
Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(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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n/an/an/an/a 1.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313178
PNG
(US10166249, Example 695 | US10709719, Example 696 ...)
Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(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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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313179
PNG
(US10166249, Example 697 | US10166249, Example 698 ...)
Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313179
PNG
(US10166249, Example 697 | US10166249, Example 698 ...)
Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313179
PNG
(US10166249, Example 697 | US10166249, Example 698 ...)
Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1
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n/an/an/an/a 8.90n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313179
PNG
(US10166249, Example 697 | US10166249, Example 698 ...)
Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1
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n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM258471
PNG
(US10166249, Example 699 | US10709719, Example 699 ...)
Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,25-/m1/s1
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n/an/an/an/a 82.6n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM258471
PNG
(US10166249, Example 699 | US10709719, Example 699 ...)
Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,25-/m1/s1
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n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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n/an/an/an/a 133n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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n/an/an/an/a>1.25E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313181
PNG
(US10166249, Example 701 | US10709719, Example 702 ...)
Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1
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n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313178
PNG
(US10166249, Example 695 | US10709719, Example 696 ...)
Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(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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n/an/an/an/a 49n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693 | US10709719, Example 694 ...)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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+/m0/s1
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n/an/an/an/a>1.25E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693 | US10709719, Example 694 ...)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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+/m0/s1
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n/an/an/an/a 38.6n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693 | US10709719, Example 694 ...)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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+/m0/s1
PDB

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n/an/an/an/a>4.16E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693 | US10709719, Example 694 ...)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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+/m0/s1
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n/an/an/an/a 19.2n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313363
PNG
(US10166249, Example 599 | US10709719, Example 692)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313363
PNG
(US10166249, Example 599 | US10709719, Example 692)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689 | US10709719, Example 690 ...)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a 5.70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...


US Patent US10709719 (2020)


BindingDB Entry DOI: 10.7270/Q2SQ93FG
More data for this
Ligand-Target Pair