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Compile Data Set for Download or QSAR

Found 952 hits Enz. Inhib. hit(s) with all data for entry = 1233   
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|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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|
PDB

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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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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US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
PDB

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US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
PDB

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US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313218
PNG
(US10166249, Example 448)
Show SMILES CCCCCOCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313219
PNG
(US10166249, Example 449)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2CC(COc3ccc(F)cc3)CCc2c1 |r|
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US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313232
PNG
(US10166249, Example 462)
Show SMILES CCC\C=C/COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65105
PNG
(US10166249, Example 468 | US9522888, 468)
Show SMILES Cc1ccccc1OC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C24H32NO5P/c1-17-4-2-3-5-23(17)29-15-18-6-7-20-13-21(9-8-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-5,8-9,13,18,22H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22-,24+/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65110
PNG
(US10166249, Example 473 | US9522888, 473)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccsc3)CCc2c1 |r|
Show InChI InChI=1/C22H30NO5PS/c23-22(15-28-29(24,25)26)7-5-21(11-22)20-4-3-18-9-16(1-2-19(18)10-20)12-27-13-17-6-8-30-14-17/h3-4,6,8,10,14,16,21H,1-2,5,7,9,11-13,15,23H2,(H2,24,25,26)/t16-,21+,22-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65114
PNG
(US10166249, Example 474 | US9522888, 474)
Show SMILES Cc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
Show InChI InChI=1/C25H34NO5P/c1-18-2-4-19(5-3-18)15-30-16-20-6-7-22-13-23(9-8-21(22)12-20)24-10-11-25(26,14-24)17-31-32(27,28)29/h2-5,8-9,13,20,24H,6-7,10-12,14-17,26H2,1H3,(H2,27,28,29)/t20-,24+,25-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65115
PNG
(US10166249, Example 475 | US9522888, 475)
Show SMILES COc1ccccc1OC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C24H32NO6P/c1-29-22-4-2-3-5-23(22)30-15-17-6-7-19-13-20(9-8-18(19)12-17)21-10-11-24(25,14-21)16-31-32(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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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65119
PNG
(US10166249, Example 477 | US9522888, 477)
Show SMILES COc1cncc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C23H31N2O6P/c1-29-21-10-22(13-25-12-21)30-14-16-2-3-18-9-19(5-4-17(18)8-16)20-6-7-23(24,11-20)15-31-32(26,27)28/h4-5,9-10,12-13,16,20H,2-3,6-8,11,14-15,24H2,1H3,(H2,26,27,28)/t16-,20+,23-/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65125
PNG
(US10166249, Example 481 | US9522888, 481)
Show SMILES COc1cccc(COC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C25H34NO6P/c1-30-24-4-2-3-18(12-24)15-31-16-19-5-6-21-13-22(8-7-20(21)11-19)23-9-10-25(26,14-23)17-32-33(27,28)29/h2-4,7-8,12-13,19,23H,5-6,9-11,14-17,26H2,1H3,(H2,27,28,29)/t19-,23-,25+/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65041
PNG
(US10166249, Example 412 | US9522888, 412)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/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+/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313187
PNG
(US10166249, Example 414 | US10166249, Example 415)
Show SMILES CCCCOC[C@@H]1COc2cc(ccc2O1)C1CCC(N)(COP(O)(O)=O)C1 |r|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313193
PNG
(US10166249, Example 421)
Show SMILES CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r,w:6.5|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313194
PNG
(US10166249, Example 423 | US10166249, Example 424 ...)
Show SMILES CCCCCCC1COc2cc(ccc2C1)C1CCC(N)(COP(O)(O)=O)C1
PDB

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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
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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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313199
PNG
(US10166249, Example 428 | US10166249, Example 429)
Show SMILES CCCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313199
PNG
(US10166249, Example 428 | US10166249, Example 429)
Show SMILES CCCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313204
PNG
(US10166249, Example 433 | US10166249, Example 434)
Show SMILES CCCCCOC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313207
PNG
(US10166249, Example 436)
Show SMILES CCCCOC1CCc2cc(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)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
PDB

KEGG

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UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 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=1/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+/s2
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313210
PNG
(US10166249, Example 439)
Show SMILES CCC\C=C\CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
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