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Compile Data Set for Download or QSAR

Found 491 hits Enz. Inhib. hit(s) with all data for assayid = 2 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 receptor 3


(Homo sapiens (Human))
BDBM65126
PNG
(US10166249, Example 482 | US9522888, 482)
Show SMILES COc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
Show InChI InChI=1/C25H34NO6P/c1-30-24-8-3-18(4-9-24)15-31-16-19-2-5-21-13-22(7-6-20(21)12-19)23-10-11-25(26,14-23)17-32-33(27,28)29/h3-4,6-9,13,19,23H,2,5,10-12,14-17,26H2,1H3,(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))
BDBM313252
PNG
(US10166249, Example 484)
Show SMILES COc1ccc(F)cc1COC[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 receptor 3


(Homo sapiens (Human))
BDBM313252
PNG
(US10166249, Example 484)
Show SMILES COc1ccc(F)cc1COC[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))
BDBM313253
PNG
(US10166249, Example 485)
Show SMILES COc1c(F)cccc1COC[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 receptor 3


(Homo sapiens (Human))
BDBM313253
PNG
(US10166249, Example 485)
Show SMILES COc1c(F)cccc1COC[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))
BDBM313254
PNG
(US10166249, Example 486)
Show SMILES COc1ccc(F)cc1COC[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 receptor 3


(Homo sapiens (Human))
BDBM313254
PNG
(US10166249, Example 486)
Show SMILES COc1ccc(F)cc1COC[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))
BDBM65131
PNG
(US10166249, Example 488 | US9522888, 488)
Show SMILES Cc1cc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)sc1C |r|
Show InChI InChI=1/C24H34NO5PS/c1-16-9-23(32-17(16)2)14-29-13-18-3-4-20-11-21(6-5-19(20)10-18)22-7-8-24(25,12-22)15-30-31(26,27)28/h5-6,9,11,18,22H,3-4,7-8,10,12-15,25H2,1-2H3,(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))
BDBM65132
PNG
(US10166249, Example 489 | US9522888, 489)
Show SMILES CCc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)s1 |r|
Show InChI InChI=1/C24H34NO5PS/c1-2-22-7-8-23(32-22)15-29-14-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-24(25,13-21)16-30-31(26,27)28/h5-8,12,17,21H,2-4,9-11,13-16,25H2,1H3,(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 receptor 3


(Homo sapiens (Human))
BDBM65132
PNG
(US10166249, Example 489 | US9522888, 489)
Show SMILES CCc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)s1 |r|
Show InChI InChI=1/C24H34NO5PS/c1-2-22-7-8-23(32-22)15-29-14-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-24(25,13-21)16-30-31(26,27)28/h5-8,12,17,21H,2-4,9-11,13-16,25H2,1H3,(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))
BDBM65133
PNG
(US10166249, Example 490 | US9522888, 490)
Show SMILES CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/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 receptor 3


(Homo sapiens (Human))
BDBM65133
PNG
(US10166249, Example 490 | US9522888, 490)
Show SMILES CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/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))
BDBM65134
PNG
(US10166249, Example 491 | US9522888, 491)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC |r|
Show InChI InChI=1/C25H34NO7P/c1-30-23-8-7-22(13-24(23)31-2)32-15-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-25(26,14-21)16-33-34(27,28)29/h5-8,12-13,17,21H,3-4,9-11,14-16,26H2,1-2H3,(H2,27,28,29)/t17-,21+,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 receptor 3


(Homo sapiens (Human))
BDBM65134
PNG
(US10166249, Example 491 | US9522888, 491)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC |r|
Show InChI InChI=1/C25H34NO7P/c1-30-23-8-7-22(13-24(23)31-2)32-15-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-25(26,14-21)16-33-34(27,28)29/h5-8,12-13,17,21H,3-4,9-11,14-16,26H2,1-2H3,(H2,27,28,29)/t17-,21+,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))
BDBM313259
PNG
(US10166249, Example 493)
Show SMILES COc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1Cl |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 receptor 3


(Homo sapiens (Human))
BDBM313259
PNG
(US10166249, Example 493)
Show SMILES COc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1Cl |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))
BDBM65136
PNG
(US10166249, Example 494 | US9522888, 494)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c(F)c1F |r|
Show InChI InChI=1/C24H30F2NO6P/c1-31-20-6-7-21(23(26)22(20)25)32-13-15-2-3-17-11-18(5-4-16(17)10-15)19-8-9-24(27,12-19)14-33-34(28,29)30/h4-7,11,15,19H,2-3,8-10,12-14,27H2,1H3,(H2,28,29,30)/t15-,19+,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 receptor 3


(Homo sapiens (Human))
BDBM65136
PNG
(US10166249, Example 494 | US9522888, 494)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c(F)c1F |r|
Show InChI InChI=1/C24H30F2NO6P/c1-31-20-6-7-21(23(26)22(20)25)32-13-15-2-3-17-11-18(5-4-16(17)10-15)19-8-9-24(27,12-19)14-33-34(28,29)30/h4-7,11,15,19H,2-3,8-10,12-14,27H2,1H3,(H2,28,29,30)/t15-,19+,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))
BDBM65138
PNG
(US10166249, Example 495 | US9522888, 495)
Show SMILES CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C26H35N2O6P/c1-28(2)25(29)22-4-3-5-24(14-22)33-16-18-6-7-20-13-21(9-8-19(20)12-18)23-10-11-26(27,15-23)17-34-35(30,31)32/h3-5,8-9,13-14,18,23H,6-7,10-12,15-17,27H2,1-2H3,(H2,30,31,32)/t18-,23+,26-/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 receptor 3


(Homo sapiens (Human))
BDBM65138
PNG
(US10166249, Example 495 | US9522888, 495)
Show SMILES CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C26H35N2O6P/c1-28(2)25(29)22-4-3-5-24(14-22)33-16-18-6-7-20-13-21(9-8-19(20)12-18)23-10-11-26(27,15-23)17-34-35(30,31)32/h3-5,8-9,13-14,18,23H,6-7,10-12,15-17,27H2,1-2H3,(H2,30,31,32)/t18-,23+,26-/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))
BDBM313262
PNG
(US10166249, Example 496)
Show SMILES Cn1nc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(F)(F)F |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 receptor 3


(Homo sapiens (Human))
BDBM313262
PNG
(US10166249, Example 496)
Show SMILES Cn1nc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(F)(F)F |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))
BDBM65141
PNG
(US10166249, Example 497 | US9522888, 497)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3cccc(OC(F)(F)F)c3)CCc2c1 |r|
Show InChI InChI=1/C24H29F3NO6P/c25-24(26,27)34-22-3-1-2-21(12-22)32-14-16-4-5-18-11-19(7-6-17(18)10-16)20-8-9-23(28,13-20)15-33-35(29,30)31/h1-3,6-7,11-12,16,20H,4-5,8-10,13-15,28H2,(H2,29,30,31)/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 receptor 3


(Homo sapiens (Human))
BDBM65141
PNG
(US10166249, Example 497 | US9522888, 497)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3cccc(OC(F)(F)F)c3)CCc2c1 |r|
Show InChI InChI=1/C24H29F3NO6P/c25-24(26,27)34-22-3-1-2-21(12-22)32-14-16-4-5-18-11-19(7-6-17(18)10-16)20-8-9-23(28,13-20)15-33-35(29,30)31/h1-3,6-7,11-12,16,20H,4-5,8-10,13-15,28H2,(H2,29,30,31)/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))
BDBM313264
PNG
(US10166249, Example 498)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |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 receptor 3


(Homo sapiens (Human))
BDBM313264
PNG
(US10166249, Example 498)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |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))
BDBM65145
PNG
(US10166249, Example 499 | US9522888, 499)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccc(s3)C(F)(F)F)CCc2c1 |r|
Show InChI InChI=1/C23H29F3NO5PS/c24-23(25,26)21-6-5-20(34-21)13-31-12-15-1-2-17-10-18(4-3-16(17)9-15)19-7-8-22(27,11-19)14-32-33(28,29)30/h3-6,10,15,19H,1-2,7-9,11-14,27H2,(H2,28,29,30)/t15-,19+,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 receptor 3


(Homo sapiens (Human))
BDBM65145
PNG
(US10166249, Example 499 | US9522888, 499)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccc(s3)C(F)(F)F)CCc2c1 |r|
Show InChI InChI=1/C23H29F3NO5PS/c24-23(25,26)21-6-5-20(34-21)13-31-12-15-1-2-17-10-18(4-3-16(17)9-15)19-7-8-22(27,11-19)14-32-33(28,29)30/h3-6,10,15,19H,1-2,7-9,11-14,27H2,(H2,28,29,30)/t15-,19+,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))
BDBM65146
PNG
(US10166249, Example 500 | US9522888, 500)
Show SMILES CC(C)CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C29H41N2O6P/c1-20(2)17-31(3)28(32)25-5-4-6-27(15-25)36-18-21-7-8-23-14-24(10-9-22(23)13-21)26-11-12-29(30,16-26)19-37-38(33,34)35/h4-6,9-10,14-15,20-21,26H,7-8,11-13,16-19,30H2,1-3H3,(H2,33,34,35)/t21-,26+,29-/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 receptor 3


(Homo sapiens (Human))
BDBM65146
PNG
(US10166249, Example 500 | US9522888, 500)
Show SMILES CC(C)CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C29H41N2O6P/c1-20(2)17-31(3)28(32)25-5-4-6-27(15-25)36-18-21-7-8-23-14-24(10-9-22(23)13-21)26-11-12-29(30,16-26)19-37-38(33,34)35/h4-6,9-10,14-15,20-21,26H,7-8,11-13,16-19,30H2,1-3H3,(H2,33,34,35)/t21-,26+,29-/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))
BDBM65147
PNG
(US10166249, Example 501 | US9522888, 501)
Show SMILES CCCCN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C29H41N2O6P/c1-3-4-14-31(2)28(32)25-6-5-7-27(17-25)36-19-21-8-9-23-16-24(11-10-22(23)15-21)26-12-13-29(30,18-26)20-37-38(33,34)35/h5-7,10-11,16-17,21,26H,3-4,8-9,12-15,18-20,30H2,1-2H3,(H2,33,34,35)/t21-,26+,29-/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 receptor 3


(Homo sapiens (Human))
BDBM65147
PNG
(US10166249, Example 501 | US9522888, 501)
Show SMILES CCCCN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1/C29H41N2O6P/c1-3-4-14-31(2)28(32)25-6-5-7-27(17-25)36-19-21-8-9-23-16-24(11-10-22(23)15-21)26-12-13-29(30,18-26)20-37-38(33,34)35/h5-7,10-11,16-17,21,26H,3-4,8-9,12-15,18-20,30H2,1-2H3,(H2,33,34,35)/t21-,26+,29-/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))
BDBM65148
PNG
(US10166249, Example 502 | US9522888, 502 | US95228...)
Show SMILES CCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO4PS/c1-2-9-27-13-15-3-4-17-11-18(6-5-16(17)10-15)19-7-8-20(21,12-19)14-25-26(22,23)24/h5-6,11,15,19H,2-4,7-10,12-14,21H2,1H3,(H2,22,23,24)/t15-,19-,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 receptor 3


(Homo sapiens (Human))
BDBM65148
PNG
(US10166249, Example 502 | US9522888, 502 | US95228...)
Show SMILES CCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO4PS/c1-2-9-27-13-15-3-4-17-11-18(6-5-16(17)10-15)19-7-8-20(21,12-19)14-25-26(22,23)24/h5-6,11,15,19H,2-4,7-10,12-14,21H2,1H3,(H2,22,23,24)/t15-,19-,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))
BDBM65149
PNG
(US10166249, Example 503 | US9522888, 503)
Show SMILES CCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO4PS/c1-2-9-27-13-15-3-4-17-11-18(6-5-16(17)10-15)19-7-8-20(21,12-19)14-25-26(22,23)24/h5-6,11,15,19H,2-4,7-10,12-14,21H2,1H3,(H2,22,23,24)/t15-,19+,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 receptor 3


(Homo sapiens (Human))
BDBM65149
PNG
(US10166249, Example 503 | US9522888, 503)
Show SMILES CCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H32NO4PS/c1-2-9-27-13-15-3-4-17-11-18(6-5-16(17)10-15)19-7-8-20(21,12-19)14-25-26(22,23)24/h5-6,11,15,19H,2-4,7-10,12-14,21H2,1H3,(H2,22,23,24)/t15-,19+,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))
BDBM65150
PNG
(US10166249, Example 504 | US9522888, 504)
Show SMILES CC(C)CSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)12-28-13-16-3-4-18-10-19(6-5-17(18)9-16)20-7-8-21(22,11-20)14-26-27(23,24)25/h5-6,10,15-16,20H,3-4,7-9,11-14,22H2,1-2H3,(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 receptor 3


(Homo sapiens (Human))
BDBM65150
PNG
(US10166249, Example 504 | US9522888, 504)
Show SMILES CC(C)CSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)12-28-13-16-3-4-18-10-19(6-5-17(18)9-16)20-7-8-21(22,11-20)14-26-27(23,24)25/h5-6,10,15-16,20H,3-4,7-9,11-14,22H2,1-2H3,(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))
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
Show SMILES CCCCSCC1CCc2cc(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 receptor 3


(Homo sapiens (Human))
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
Show SMILES CCCCSCC1CCc2cc(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))
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
Show SMILES CCCCSCC1CCc2cc(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 receptor 3


(Homo sapiens (Human))
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
Show SMILES CCCCSCC1CCc2cc(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))
BDBM313273
PNG
(US10166249, Example 507 | US10166249, Example 508)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2CC(CSc3ccccc3)CCc2c1 |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 receptor 3


(Homo sapiens (Human))
BDBM313273
PNG
(US10166249, Example 507 | US10166249, Example 508)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2CC(CSc3ccccc3)CCc2c1 |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))
BDBM313273
PNG
(US10166249, Example 507 | US10166249, Example 508)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2CC(CSc3ccccc3)CCc2c1 |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 receptor 3


(Homo sapiens (Human))
BDBM313273
PNG
(US10166249, Example 507 | US10166249, Example 508)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2CC(CSc3ccccc3)CCc2c1 |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))
BDBM65160
PNG
(US10166249, Example 509 | US9522888, 509)
Show SMILES CC(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)12-28-13-16-3-4-18-10-19(6-5-17(18)9-16)20-7-8-21(22,11-20)14-26-27(23,24)25/h5-6,10,15-16,20H,3-4,7-9,11-14,22H2,1-2H3,(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 receptor 3


(Homo sapiens (Human))
BDBM65160
PNG
(US10166249, Example 509 | US9522888, 509)
Show SMILES CC(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO4PS/c1-15(2)12-28-13-16-3-4-18-10-19(6-5-17(18)9-16)20-7-8-21(22,11-20)14-26-27(23,24)25/h5-6,10,15-16,20H,3-4,7-9,11-14,22H2,1-2H3,(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))
BDBM65161
PNG
(US10166249, Example 510 | US9522888, 510)
Show SMILES CC(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H36NO4PS/c1-16(2)8-10-29-14-17-3-4-19-12-20(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
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/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 receptor 3


(Homo sapiens (Human))
BDBM65161
PNG
(US10166249, Example 510 | US9522888, 510)
Show SMILES CC(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H36NO4PS/c1-16(2)8-10-29-14-17-3-4-19-12-20(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
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>625n/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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