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Compile Data Set for Download or QSAR

Found 225 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 8560   
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))
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/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65043
PNG
(US9522888, 414)
Show SMILES CCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C19H30NO7P/c1-2-3-8-24-11-16-12-25-18-9-14(4-5-17(18)27-16)15-6-7-19(20,10-15)13-26-28(21,22)23/h4-5,9,15-16H,2-3,6-8,10-13,20H2,1H3,(H2,21,22,23)/t15-,16+,19+/m0/s1
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n/an/an/an/a 5.50E+3n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65044
PNG
(US9522888, 415)
Show SMILES CCCCOC[C@@H]1COc2cc(ccc2O1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C19H30NO7P/c1-2-3-8-24-11-16-12-25-18-9-14(4-5-17(18)27-16)15-6-7-19(20,10-15)13-26-28(21,22)23/h4-5,9,15-16H,2-3,6-8,10-13,20H2,1H3,(H2,21,22,23)/t15-,16-,19-/m1/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65046
PNG
(US9522888, 417)
Show SMILES CCCCCCN1CCc2cc(ccc2C1=O)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H33N2O5P/c1-2-3-4-5-11-23-12-9-17-13-16(6-7-19(17)20(23)24)18-8-10-21(22,14-18)15-28-29(25,26)27/h6-7,13,18H,2-5,8-12,14-15,22H2,1H3,(H2,25,26,27)/t18-,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65047
PNG
(US9522888, 419)
Show SMILES CCCCCCC1CCc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-19-9-7-17-13-16(8-10-20(17)27-19)18-11-12-21(22,14-18)15-26-28(23,24)25/h8,10,13,18-19H,2-7,9,11-12,14-15,22H2,1H3,(H2,23,24,25)/t18-,19?,21+/m0/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65048
PNG
(US9522888, 420)
Show SMILES CCCCCCC1CCc2cc(ccc2O1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-19-9-7-17-13-16(8-10-20(17)27-19)18-11-12-21(22,14-18)15-26-28(23,24)25/h8,10,13,18-19H,2-7,9,11-12,14-15,22H2,1H3,(H2,23,24,25)/t18-,19?,21-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65049
PNG
(US9522888, 421)
Show SMILES CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65050
PNG
(US9522888, 423)
Show SMILES CCCCCC[C@@H]1COc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-16-11-18-8-7-17(12-20(18)26-14-16)19-9-10-21(22,13-19)15-27-28(23,24)25/h7-8,12,16,19H,2-6,9-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,19+,21+/m0/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65051
PNG
(US9522888, 424)
Show SMILES CCCCCC[C@H]1COc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-16-11-18-8-7-17(12-20(18)26-14-16)19-9-10-21(22,13-19)15-27-28(23,24)25/h7-8,12,16,19H,2-6,9-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,19+,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65081
PNG
(US9522888, 447)
Show SMILES CCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-10-26-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(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
PDB

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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65082
PNG
(US9522888, 448)
Show SMILES CCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C22H36NO5P/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/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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65083
PNG
(US9522888, 449)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3ccc(F)cc3)CCc2c1 |r|
Show InChI InChI=1S/C23H29FNO5P/c24-21-5-7-22(8-6-21)29-14-16-1-2-18-12-19(4-3-17(18)11-16)20-9-10-23(25,13-20)15-30-31(26,27)28/h3-8,12,16,20H,1-2,9-11,13-15,25H2,(H2,26,27,28)/t16-,20+,23-/m1/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65084
PNG
(US10166249, Example 450 | US9522888, 450)
Show SMILES CCCCCCCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65085
PNG
(US10166249, Example 451 | US9522888, 451)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC(F)(F)F)CCc2c1 |r|
Show InChI InChI=1S/C21H31F3NO5P/c22-21(23,24)7-1-9-29-13-15-2-3-17-11-18(5-4-16(17)10-15)19-6-8-20(25,12-19)14-30-31(26,27)28/h4-5,11,15,19H,1-3,6-10,12-14,25H2,(H2,26,27,28)/t15-,19+,20-/m1/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65086
PNG
(US10166249, Example 452 | US9522888, 452)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCC=C)CCc2c1 |r|
Show InChI InChI=1S/C21H32NO5P/c1-2-3-10-26-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h2,6-7,12,16,20H,1,3-5,8-11,13-15,22H2,(H2,23,24,25)/t16-,20+,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65087
PNG
(US10166249, Example 453 | US9522888, 453)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
Show InChI InChI=1S/C22H34NO5P/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/h5-6,8,12,17,21H,3-4,7,9-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65088
PNG
(US10166249, Example 454 | US9522888, 454)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC=C)CCc2c1 |r|
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/h2,7-8,13,17,21H,1,3-6,9-12,14-16,23H2,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65089
PNG
(US10166249, Example 456 | US9522888, 455)
Show SMILES CC\C=C/COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65090
PNG
(US10166249, Example 455 | US9522888, 456)
Show SMILES CC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65091
PNG
(US10166249, Example 457 | US9522888, 457)
Show SMILES CC(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65092
PNG
(US10166249, Example 465 | US9522888, 458 | US95228...)
Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65093
PNG
(US10166249, Example 459 | US9522888, 459)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](COc3ccccc3)CCc2c1 |r|
Show InChI InChI=1S/C23H30NO5P/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)15-28-22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65095
PNG
(US10166249, Example 460 | US9522888, 460 | US95228...)
Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65096
PNG
(US10166249, Example 461 | US9522888, 461)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
Show InChI InChI=1S/C23H36NO5P/c1-17(2)4-3-11-28-15-18-5-6-20-13-21(8-7-19(20)12-18)22-9-10-23(24,14-22)16-29-30(25,26)27/h4,7-8,13,18,22H,3,5-6,9-12,14-16,24H2,1-2H3,(H2,25,26,27)/t18-,22+,23-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65095
PNG
(US10166249, Example 460 | US9522888, 460 | US95228...)
Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65100
PNG
(US10166249, Example 464 | US9522888, 464)
Show SMILES CC(C)(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65092
PNG
(US10166249, Example 465 | US9522888, 458 | US95228...)
Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65103
PNG
(US10166249, Example 466 | US9522888, 466)
Show SMILES Cc1ccc(OC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
Show InChI InChI=1S/C24H32NO5P/c1-17-2-8-23(9-3-17)29-15-18-4-5-20-13-21(7-6-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-3,6-9,13,18,22H,4-5,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22-,24+/m0/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65104
PNG
(US10166249, Example 467 | US9522888, 467)
Show SMILES Cc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
Show InChI InChI=1S/C24H32NO5P/c1-17-2-8-23(9-3-17)29-15-18-4-5-20-13-21(7-6-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-3,6-9,13,18,22H,4-5,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22+,24-/m1/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65053
PNG
(US9522888, 425)
Show SMILES CCCCCC[C@H]1COc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-16-11-18-8-7-17(12-20(18)26-14-16)19-9-10-21(22,13-19)15-27-28(23,24)25/h7-8,12,16,19H,2-6,9-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,19-,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65055
PNG
(US10166249, Example 426 | US9522888, 426)
Show SMILES CCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65056
PNG
(US10166249, Example 427 | US9522888, 427)
Show SMILES CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65058
PNG
(US9522888, 428)
Show SMILES CCCCCC[C@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65059
PNG
(US9522888, 429)
Show SMILES CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65060
PNG
(US9522888, 430)
Show SMILES CCCCCO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-11-26-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-27-28(23,24)25/h5-6,12,19-20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t19-,20+,21+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65062
PNG
(US9522888, 431)
Show SMILES CCCCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-11-26-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-27-28(23,24)25/h5-6,12,19-20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t19-,20-,21+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65063
PNG
(US10166249, Example 432 | US9522888, 432)
Show SMILES CCCCCCCOC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C23H38NO5P/c1-2-3-4-5-6-13-28-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-29-30(25,26)27/h7-8,14,21-22H,2-6,9-13,15-17,24H2,1H3,(H2,25,26,27)/t21-,22?,23+/m0/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65064
PNG
(US9522888, 433)
Show SMILES CCCCCO[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-11-26-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-27-28(23,24)25/h5-6,12,19-20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t19-,20-,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65065
PNG
(US9522888, 434)
Show SMILES CCCCCO[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-11-26-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-27-28(23,24)25/h5-6,12,19-20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t19-,20+,21-/m1/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65067
PNG
(US9522888, 436)
Show SMILES CCCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C20H32NO5P/c1-2-3-10-25-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-26-27(22,23)24/h4-5,11,18-19H,2-3,6-10,12-14,21H2,1H3,(H2,22,23,24)/t18-,19-,20+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65068
PNG
(US10166249, Example 437 | US9522888, 437 | US95228...)
Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65069
PNG
(US10166249, Example 438 | US9522888, 438 | US95228...)
Show SMILES CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65069
PNG
(US10166249, Example 438 | US9522888, 438 | US95228...)
Show SMILES CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65068
PNG
(US10166249, Example 437 | US9522888, 437 | US95228...)
Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65074
PNG
(US10166249, Example 441 | US9522888, 441)
Show SMILES Cc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO5P/c1-17-3-2-4-18(11-17)15-29-23-8-7-19-12-20(5-6-21(19)13-23)22-9-10-24(25,14-22)16-30-31(26,27)28/h2-6,11-12,22-23H,7-10,13-16,25H2,1H3,(H2,26,27,28)/t22-,23+,24+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65075
PNG
(US10166249, Example 442 | US9522888, 442)
Show SMILES COc1cccc(CO[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C24H32NO6P/c1-29-22-4-2-3-17(11-22)15-30-23-8-7-18-12-19(5-6-20(18)13-23)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-6,11-12,21,23H,7-10,13-16,25H2,1H3,(H2,26,27,28)/t21-,23-,24+/m0/s1
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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65077
PNG
(US10166249, Example 444 | US9522888, 444)
Show SMILES CCOc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
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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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65078
PNG
(US10166249, Example 445 | US9522888, 445)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](COCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1S/C24H32NO5P/c25-24(17-30-31(26,27)28)11-10-23(14-24)22-9-8-20-12-19(6-7-21(20)13-22)16-29-15-18-4-2-1-3-5-18/h1-5,8-9,13,19,23H,6-7,10-12,14-17,25H2,(H2,26,27,28)/t19-,23-,24+/m0/s1
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n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65079
PNG
(US9522888, 446)
Show SMILES CCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C21H34NO5P/c1-2-3-10-26-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21+/m0/s1
PDB

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n/an/an/an/a<10n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65232
PNG
(US10166249, Example 563 | US9522888, 563)
Show SMILES COc1ccccc1CCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C26H36NO5P/c1-31-25-8-3-2-6-20(25)7-4-5-19-9-10-22-16-23(12-11-21(22)15-19)24-13-14-26(27,17-24)18-32-33(28,29)30/h2-3,6,8,11-12,16,19,24H,4-5,7,9-10,13-15,17-18,27H2,1H3,(H2,28,29,30)/t19-,24+,26-/m1/s1
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n/an/an/an/a 550n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
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