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Compile Data Set for Download or QSAR

Found 726 hits of affinity data for UniProtKB/TrEMBL: Q9ULG8   
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 lyase 1


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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313176
PNG
(US10166249, Example 692)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313175
PNG
(US10166249, Example 690)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65356
PNG
(US10166249, Example 665 | US9522888, 665)
Show SMILES CCCCO\N=C(/C)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H35N2O5P/c1-3-4-11-28-24-16(2)17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)15-29-30(25,26)27/h7-8,13,17,21H,3-6,9-12,14-15,23H2,1-2H3,(H2,25,26,27)/b24-16+/t17-,21+,22-/s2
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(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-,29?/s2
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313354
PNG
(US10166249, Example 589)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313355
PNG
(US10166249, Example 591 | US10166249, Example 592)
Show SMILES CCCCOCCOC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313357
PNG
(US10166249, Example 593)
Show SMILES COc1ccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313359
PNG
(US10166249, Example 595)
Show SMILES COCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)O)C1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313360
PNG
(US10166249, Example 596)
Show SMILES COCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313361
PNG
(US10166249, Example 597 | US10166249, Example 598)
Show SMILES COCCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


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

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313365
PNG
(US10166249, Example 601)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2CC(CCCOCC=C)CCc2c1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313366
PNG
(US10166249, Example 602)
Show SMILES CC(C)OCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313368
PNG
(US10166249, Example 605)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r|
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313371
PNG
(US10166249, Example 608)
Show SMILES COc1cc(CC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1F |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313374
PNG
(US10166249, Example 611)
Show SMILES COC(C)CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65304
PNG
(US10166249, Example 622 | US9522888, 622)
Show SMILES CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(O)(O)=O)C3)c(C)cc2C1 |r|
Show InChI InChI=1/C23H38NO4P/c1-3-4-5-6-7-18-8-9-19-14-22(17(2)12-21(19)13-18)20-10-11-23(24,15-20)16-28-29(25,26)27/h12,14,18,20H,3-11,13,15-16,24H2,1-2H3,(H2,25,26,27)/t18-,20-,23+/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65306
PNG
(US10166249, Example 623 | US9522888, 623)
Show SMILES CCCCCC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO6P/c1-2-3-4-5-21(24)29-20-9-8-16-12-17(6-7-18(16)13-20)19-10-11-22(23,14-19)15-28-30(25,26)27/h6-7,12,19-20H,2-5,8-11,13-15,23H2,1H3,(H2,25,26,27)/t19-,20?,22+/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65316
PNG
(US10166249, Example 633 | US9522888, 630)
Show SMILES CCCCC1CCCC2(CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)O1 |r|
Show InChI InChI=1/C24H38NO5P/c1-2-3-5-22-6-4-11-24(30-22)13-10-19-14-18(7-8-20(19)16-24)21-9-12-23(25,15-21)17-29-31(26,27)28/h7-8,14,21-22H,2-6,9-13,15-17,25H2,1H3,(H2,26,27,28)/t21-,22?,23+,24?/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65320
PNG
(US10166249, Example 635 | US9522888, 635)
Show SMILES CCCCC1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H30NO5P/c1-2-3-4-14-5-6-16-11-15(7-8-18(16)19(14)22)17-9-10-20(21,12-17)13-26-27(23,24)25/h7-8,11,14,17H,2-6,9-10,12-13,21H2,1H3,(H2,23,24,25)/t14?,17-,20+/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65321
PNG
(US10166249, Example 637 | US9522888, 636 | US95228...)
Show SMILES CCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h5-6,9-10,14,17,21H,2-4,7-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b6-5+/t17-,21+,22-/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65324
PNG
(US10166249, Example 638 | US9522888, 638)
Show SMILES COCCC\C=C\[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO5P/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/h3,5,8-9,14,17,21H,2,4,6-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/b5-3+/t17-,21-,22+/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65327
PNG
(US10166249, Example 640 | US9522888, 640)
Show SMILES COCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO5P/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/h3,5,8-9,14,17,21H,2,4,6-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/b5-3+/t17-,21+,22-/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65333
PNG
(US10166249, Example 643 | US9522888, 643)
Show SMILES COc1cccc(\C=C\[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C25H32NO5P/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/h2-6,9-10,14-15,19,23H,7-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/b6-5+/t19-,23+,25-/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65344
PNG
(US10166249, Example 653 | US9522888, 652)
Show SMILES CCC\C=C\C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h4-5,9-10,14,17,21H,2-3,6-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b5-4+/t17-,21+,22-/s2
PDB

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65346
PNG
(US10166249, Example 654 | US9522888, 654)
Show SMILES CCC\C=C\C[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h4-5,9-10,14,17,21H,2-3,6-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b5-4+/t17-,21-,22+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65347
PNG
(US10166249, Example 655 | US9522888, 655)
Show SMILES CCC\C=C/C[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h4-5,9-10,14,17,21H,2-3,6-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b5-4-/t17-,21-,22+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65350
PNG
(US10166249, Example 658 | US9522888, 658)
Show SMILES CC\C=C\CC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h3-4,9-10,14,17,21H,2,5-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b4-3+/t17-,21-,22+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65351
PNG
(US10166249, Example 659 | US9522888, 659)
Show SMILES C\C=C\CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2+/t18-,22-,23+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65352
PNG
(US10166249, Example 660 | US9522888, 660)
Show SMILES C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22-,23+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65354
PNG
(US10166249, Example 661 | US9522888, 661)
Show SMILES C\C=C/CCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22+,23-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65355
PNG
(US10166249, Example 664 | US9522888, 664)
Show SMILES C\C(=N/OCc1ccccc1)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C25H33N2O5P/c1-18(27-31-16-19-5-3-2-4-6-19)20-7-8-22-14-23(10-9-21(22)13-20)24-11-12-25(26,15-24)17-32-33(28,29)30/h2-6,9-10,14,20,24H,7-8,11-13,15-17,26H2,1H3,(H2,28,29,30)/b27-18+/t20-,24+,25-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65170
PNG
(US10166249, Example 519 | US9522888, 519)
Show SMILES CC(C)(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C23H38NO4PS/c1-22(2,3)10-11-30-15-17-4-5-19-13-20(7-6-18(19)12-17)21-8-9-23(24,14-21)16-28-29(25,26)27/h6-7,13,17,21H,4-5,8-12,14-16,24H2,1-3H3,(H2,25,26,27)/t17-,21+,23-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65172
PNG
(US10166249, Example 521 | US9522888, 521)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CSCCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24-,25+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65173
PNG
(US10166249, Example 522 | US9522888, 522)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65183
PNG
(US10166249, Example 527 | US9522888, 527)
Show SMILES COc1ccccc1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C24H32NO5PS/c1-29-22-4-2-3-5-23(22)32-15-17-6-7-19-13-20(9-8-18(19)12-17)21-10-11-24(25,14-21)16-30-31(26,27)28/h2-5,8-9,13,17,21H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t17-,21+,24-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65185
PNG
(US10166249, Example 529 | US9522888, 529)
Show SMILES COc1ccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
Show InChI InChI=1/C24H32NO5PS/c1-29-22-6-8-23(9-7-22)32-15-17-2-3-19-13-20(5-4-18(19)12-17)21-10-11-24(25,14-21)16-30-31(26,27)28/h4-9,13,17,21H,2-3,10-12,14-16,25H2,1H3,(H2,26,27,28)/t17-,21+,24-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313298
PNG
(US10166249, Example 532)
Show SMILES CCSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65191
PNG
(US10166249, Example 533 | US9522888, 533)
Show SMILES CCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO4PS/c1-2-27-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-25-26(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65192
PNG
(US10166249, Example 534 | US9522888, 534)
Show SMILES CCCSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65193
PNG
(US10166249, Example 535 | US9522888, 535)
Show SMILES CCCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65194
PNG
(US10166249, Example 536 | US9522888, 536)
Show SMILES CC(C)SCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)28-10-8-16-3-4-18-12-19(6-5-17(18)11-16)20-7-9-21(22,13-20)14-26-27(23,24)25/h5-6,12,15-16,20H,3-4,7-11,13-14,22H2,1-2H3,(H2,23,24,25)/t16-,20+,21-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65195
PNG
(US10166249, Example 537 | US9522888, 537)
Show SMILES CC(C)SCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)28-10-8-16-3-4-18-12-19(6-5-17(18)11-16)20-7-9-21(22,13-20)14-26-27(23,24)25/h5-6,12,15-16,20H,3-4,7-11,13-14,22H2,1-2H3,(H2,23,24,25)/t16-,20-,21+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65197
PNG
(US10166249, Example 538 | US9522888, 538)
Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65198
PNG
(US10166249, Example 539 | US9522888, 539)
Show SMILES CC(C)CSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/s2
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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313306
PNG
(US10166249, Example 540)
Show SMILES COCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65200
PNG
(US10166249, Example 541 | US9522888, 541)
Show SMILES CCOCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO5P/c1-2-25-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-26-27(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
More data for this
Ligand-Target Pair
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