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Patent code US9187437

Compile Data Set for Download or QSAR
Found 45 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 1


(Homo sapiens (Human))		BDBM192134
PNG
(US9187437, 32)
Show SMILES Clc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H22ClN3O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2
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n/an/a 0.540n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192137
PNG
(US9187437, 40)
Show SMILES Cc1ccsc1-c1noc(COCC2(CCC2)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H19ClN2O2S/c1-13-7-10-25-17(13)18-21-16(24-22-18)11-23-12-19(8-2-9-19)14-3-5-15(20)6-4-14/h3-7,10H,2,8-9,11-12H2,1H3
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n/an/a 1.20n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192135
PNG
(US9187437, 33)
Show SMILES Nc1ncccc1-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23)
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n/an/a 1.90n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192126
PNG
(US9187437, 7)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-4-10-18(11-5-1)21-23-20(25-24-21)14-17-22(15-8-3-9-16-22)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
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n/an/a 3.30n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192130
PNG
(US9187437, 26)
Show SMILES COc1ccc(OC)c(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H28N2O3/c1-27-19-11-12-21(28-2)20(17-19)23-25-22(29-26-23)13-16-24(14-7-4-8-15-24)18-9-5-3-6-10-18/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3
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n/an/a 8.10n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192125
PNG
(US9187437, 5)
Show SMILES Fc1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C22H23FN2O/c23-19-11-9-17(10-12-19)21-24-20(26-25-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
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n/an/a 12n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192124
PNG
(US9187437, 2)
Show SMILES Fc1cc(F)cc(c1)C1(CCc2nc(no2)-c2cc[nH]c(=O)c2)CCCCC1
Show InChI InChI=1S/C21H21F2N3O2/c22-16-11-15(12-17(23)13-16)21(6-2-1-3-7-21)8-4-19-25-20(26-28-19)14-5-9-24-18(27)10-14/h5,9-13H,1-4,6-8H2,(H,24,27)
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n/an/a 13n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/a 25n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192127
PNG
(US9187437, 8)
Show SMILES FC(F)(F)c1cccc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)19-11-7-8-17(16-19)21-27-20(29-28-21)12-15-22(13-5-2-6-14-22)18-9-3-1-4-10-18/h1,3-4,7-11,16H,2,5-6,12-15H2
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n/an/a 33n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192136
PNG
(US9187437, 34)
Show SMILES [O-][n+]1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-24-15-10-17(11-16-24)20-22-19(26-23-20)9-14-21(12-5-2-6-13-21)18-7-3-1-4-8-18/h1,3-4,7-8,10-11,15-16H,2,5-6,9,12-14H2
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n/an/a 67n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192133
PNG
(US9187437, 30)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C21H23N3O/c1-3-9-17(10-4-1)21(13-6-2-7-14-21)15-12-19-23-20(24-25-19)18-11-5-8-16-22-18/h1,3-5,8-11,16H,2,6-7,12-15H2
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n/an/a 97n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192128
PNG
(US9187437, 13)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H22F4N2O/c24-19-15-16(9-10-18(19)23(25,26)27)21-28-20(30-29-21)11-14-22(12-5-2-6-13-22)17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/a 210n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192129
PNG
(US9187437, 20)
Show SMILES Fc1ccccc1COc1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C29H29FN2O2/c30-26-12-6-5-9-23(26)21-33-25-15-13-22(14-16-25)28-31-27(34-32-28)17-20-29(18-7-2-8-19-29)24-10-3-1-4-11-24/h1,3-6,9-16H,2,7-8,17-21H2
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n/an/a 410n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192131
PNG
(US9187437, 27)
Show SMILES Clc1ccc(COc2ccc(cc2)-c2noc(CCC3(CCCCC3)c3ccccc3)n2)cc1
Show InChI InChI=1S/C29H29ClN2O2/c30-25-13-9-22(10-14-25)21-33-26-15-11-23(12-16-26)28-31-27(34-32-28)17-20-29(18-5-2-6-19-29)24-7-3-1-4-8-24/h1,3-4,7-16H,2,5-6,17-21H2
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n/an/a 610n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192123
PNG
(US9187437, 1)
Show SMILES Cc1ccc(-c2noc(CCC3(CCCCC3)c3cc(F)cc(F)c3)n2)c(=O)[nH]1
Show InChI InChI=1S/C22H23F2N3O2/c1-14-5-6-18(21(28)25-14)20-26-19(29-27-20)7-10-22(8-3-2-4-9-22)15-11-16(23)13-17(24)12-15/h5-6,11-13H,2-4,7-10H2,1H3,(H,25,28)
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n/an/a 1.30E+3n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192147
PNG
(US9187437, 42 (comparative))
Show SMILES C1CCC(C(C1)c1nc(no1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)20-21-19(22-23-20)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
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n/an/a 1.20E+4n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192141
PNG
(US9187437, 16)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H23F3N2O2/c24-23(25,26)29-19-11-9-17(10-12-19)21-27-20(30-28-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
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n/an/an/an/a>6.20E+4n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192143
PNG
(US9187437, 19)
Show SMILES COc1cc(OC)cc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H28N2O3/c1-27-20-15-18(16-21(17-20)28-2)23-25-22(29-26-23)11-14-24(12-7-4-8-13-24)19-9-5-3-6-10-19/h3,5-6,9-10,15-17H,4,7-8,11-14H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192144
PNG
(US9187437, 24)
Show SMILES Clc1ncn(Cc2cccc(c2)-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-23-24(28)32(18-29-23)17-19-8-7-9-20(16-19)25-30-22(33-31-25)12-15-26(13-5-2-6-14-26)21-10-3-1-4-11-21/h1,3-4,7-11,16,18H,2,5-6,12-15,17H2
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n/an/an/an/a 3.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192130
PNG
(US9187437, 26)
Show SMILES COc1ccc(OC)c(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H28N2O3/c1-27-19-11-12-21(28-2)20(17-19)23-25-22(29-26-23)13-16-24(14-7-4-8-15-24)18-9-5-3-6-10-18/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3
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n/an/an/an/a 4.90E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192127
PNG
(US9187437, 8)
Show SMILES FC(F)(F)c1cccc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)19-11-7-8-17(16-19)21-27-20(29-28-21)12-15-22(13-5-2-6-14-22)18-9-3-1-4-10-18/h1,3-4,7-11,16H,2,5-6,12-15H2
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n/an/an/an/a>6.20E+4n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192138
PNG
(US9187437, 4)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H22F6N2O/c25-23(26,27)18-13-16(14-19(15-18)24(28,29)30)21-31-20(33-32-21)9-12-22(10-5-2-6-11-22)17-7-3-1-4-8-17/h1,3-4,7-8,13-15H,2,5-6,9-12H2
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n/an/an/an/a 280n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192135
PNG
(US9187437, 33)
Show SMILES Nc1ncccc1-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23)
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n/an/an/an/a 67n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192144
PNG
(US9187437, 24)
Show SMILES Clc1ncn(Cc2cccc(c2)-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-23-24(28)32(18-29-23)17-19-8-7-9-20(16-19)25-30-22(33-31-25)12-15-26(13-5-2-6-14-26)21-10-3-1-4-11-21/h1,3-4,7-11,16,18H,2,5-6,12-15,17H2
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n/an/an/an/a 1.30E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192130
PNG
(US9187437, 26)
Show SMILES COc1ccc(OC)c(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H28N2O3/c1-27-19-11-12-21(28-2)20(17-19)23-25-22(29-26-23)13-16-24(14-7-4-8-15-24)18-9-5-3-6-10-18/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3
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n/an/an/an/a 1.60E+4n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192135
PNG
(US9187437, 33)
Show SMILES Nc1ncccc1-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23)
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n/an/an/an/a 550n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192147
PNG
(US9187437, 42 (comparative))
Show SMILES C1CCC(C(C1)c1nc(no1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)20-21-19(22-23-20)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
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n/an/an/an/a>6.20E+4n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/an/an/a 740n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192140
PNG
(US9187437, 12)
Show SMILES Fc1ccc(cc1F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C22H22F2N2O/c23-18-10-9-16(15-19(18)24)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/an/an/a 330n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192134
PNG
(US9187437, 32)
Show SMILES Clc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H22ClN3O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2
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n/an/an/an/a 430n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/an/an/a 1.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192139
PNG
(US9187437, 9)
Show SMILES Cc1cccc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H26N2O/c1-18-9-8-10-19(17-18)22-24-21(26-25-22)13-16-23(14-6-3-7-15-23)20-11-4-2-5-12-20/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3
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n/an/an/an/a 2.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192145
PNG
(US9187437, 29)
Show SMILES Nc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H24N4O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2,(H2,22,23)
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n/an/an/an/a 36n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192141
PNG
(US9187437, 16)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H23F3N2O2/c24-23(25,26)29-19-11-9-17(10-12-19)21-27-20(30-28-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
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n/an/an/an/a 5.70E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192139
PNG
(US9187437, 9)
Show SMILES Cc1cccc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H26N2O/c1-18-9-8-10-19(17-18)22-24-21(26-25-22)13-16-23(14-6-3-7-15-23)20-11-4-2-5-12-20/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3
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n/an/an/an/a 530n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192146
PNG
(US9187437, 38)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2
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n/an/an/an/a 2.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192143
PNG
(US9187437, 19)
Show SMILES COc1cc(OC)cc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H28N2O3/c1-27-20-15-18(16-21(17-20)28-2)23-25-22(29-26-23)11-14-24(12-7-4-8-13-24)19-9-5-3-6-10-19/h3,5-6,9-10,15-17H,4,7-8,11-14H2,1-2H3
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n/an/an/an/a 2.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192126
PNG
(US9187437, 7)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-4-10-18(11-5-1)21-23-20(25-24-21)14-17-22(15-8-3-9-16-22)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
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n/an/an/an/a 130n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192140
PNG
(US9187437, 12)
Show SMILES Fc1ccc(cc1F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C22H22F2N2O/c23-18-10-9-16(15-19(18)24)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14H2
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n/an/an/an/a 5.90E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192138
PNG
(US9187437, 4)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C24H22F6N2O/c25-23(26,27)18-13-16(14-19(15-18)24(28,29)30)21-31-20(33-32-21)9-12-22(10-5-2-6-11-22)17-7-3-1-4-8-17/h1,3-4,7-8,13-15H,2,5-6,9-12H2
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n/an/an/an/a>6.20E+4n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192146
PNG
(US9187437, 38)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2
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n/an/an/an/a 100n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192134
PNG
(US9187437, 32)
Show SMILES Clc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H22ClN3O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2
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n/an/an/an/a 50n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM192127
PNG
(US9187437, 8)
Show SMILES FC(F)(F)c1cccc(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)19-11-7-8-17(16-19)21-27-20(29-28-21)12-15-22(13-5-2-6-14-22)18-9-3-1-4-10-18/h1,3-4,7-11,16H,2,5-6,12-15H2
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n/an/an/an/a 710n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192126
PNG
(US9187437, 7)
Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-4-10-18(11-5-1)21-23-20(25-24-21)14-17-22(15-8-3-9-16-22)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
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n/an/an/an/a 630n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM192145
PNG
(US9187437, 29)
Show SMILES Nc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C21H24N4O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2,(H2,22,23)
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n/an/an/an/a 430n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...

US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%