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Compile Data Set for Download or QSAR

Found 728 hits Enz. Inhib. hit(s) with Target = 'Sphingosine-1-phosphate lyase 1'   
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


(Rattus norvegicus)
BDBM50187501
PNG
(CHEMBL3827445)
Show SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CP(O)(O)=O
Show InChI InChI=1/C18H40NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/s2
UniProtKB/TrEMBL

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Patents

PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of rat S1PL in presence of D(+)-erythro-sphinganine-1-phosphate measured after 15 mins by Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313174
PNG
(US10166249, Example 689)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313176
PNG
(US10166249, Example 692)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313175
PNG
(US10166249, Example 690)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313177
PNG
(US10166249, Example 693)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 5.20n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

KEGG

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

KEGG

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

KEGG

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313306
PNG
(US10166249, Example 540)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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

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PC cid
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65207
PNG
(US10166249, Example 547 | US9522888, 547)
Show SMILES CCOc1ccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1
Show InChI InChI=1/C25H34NO5P/c1-2-30-24-9-4-18(5-10-24)13-19-3-6-21-15-22(8-7-20(21)14-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h4-5,7-10,15,19,23H,2-3,6,11-14,16-17,26H2,1H3,(H2,27,28,29)/t19-,23+,25-/s2
PDB

KEGG

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65217
PNG
(US10166249, Example 552 | US9522888, 552)
Show SMILES COCc1cccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1/C25H34NO5P/c1-30-16-20-4-2-3-18(12-20)11-19-5-6-22-14-23(8-7-21(22)13-19)24-9-10-25(26,15-24)17-31-32(27,28)29/h2-4,7-8,12,14,19,24H,5-6,9-11,13,15-17,26H2,1H3,(H2,27,28,29)/t19-,24-,25+/s2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65223
PNG
(US10166249, Example 555 | US9522888, 555)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCCCC=C)CCc2c1
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/h2,9-10,14,17,21H,1,3-8,11-13,15-16,23H2,(H2,24,25,26)/t17-,21+,22-/s2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65227
PNG
(US10166249, Example 558 | US9522888, 558)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCC3CCOCC3)CCc2c1
Show InChI InChI=1/C23H36NO5P/c24-23(16-29-30(25,26)27)10-7-22(15-23)21-6-5-19-13-18(3-4-20(19)14-21)2-1-17-8-11-28-12-9-17/h5-6,14,17-18,22H,1-4,7-13,15-16,24H2,(H2,25,26,27)/t18-,22+,23-/s2
PDB

KEGG

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PC cid
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313331
PNG
(US10166249, Example 565)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313332
PNG
(US10166249, Example 566)
PDB

KEGG

UniProtKB/SwissProt

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65237
PNG
(US10166249, Example 567 | US9522888, 567)
Show SMILES COc1cccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1/C24H32NO5P/c1-29-23-4-2-3-17(13-23)11-18-5-6-20-14-21(8-7-19(20)12-18)22-9-10-24(25,15-22)16-30-31(26,27)28/h2-4,7-8,13-14,18,22H,5-6,9-12,15-16,25H2,1H3,(H2,26,27,28)/t18-,22+,24-/s2
PDB

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313335
PNG
(US10166249, Example 569)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313337
PNG
(US10166249, Example 571 | US10166249, Example 572)
PDB

KEGG

UniProtKB/SwissProt

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313343
PNG
(US10166249, Example 577 | US10166249, Example 578)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313343
PNG
(US10166249, Example 577 | US10166249, Example 578)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313347
PNG
(US10166249, Example 581)
PDB

KEGG

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313348
PNG
(US10166249, Example 582)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313350
PNG
(US10166249, Example 584)
PDB

KEGG

UniProtKB/SwissProt

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



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313352
PNG
(US10166249, Example 586)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313353
PNG
(US10166249, Example 587)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313354
PNG
(US10166249, Example 589)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313355
PNG
(US10166249, Example 591 | US10166249, Example 592)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313357
PNG
(US10166249, Example 593)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313359
PNG
(US10166249, Example 595)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313360
PNG
(US10166249, Example 596)
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313361
PNG
(US10166249, Example 597 | US10166249, Example 598)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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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GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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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J Med Chem 44: 2015-26 (2001)

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
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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GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313259
PNG
(US10166249, Example 493)
PDB

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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313262
PNG
(US10166249, Example 496)
PDB

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J Med Chem 44: 2015-26 (2001)

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
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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J Med Chem 44: 2015-26 (2001)

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
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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J Med Chem 44: 2015-26 (2001)

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
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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GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

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
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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GlaxoSmithKline





J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
PDB

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J Med Chem 44: 2015-26 (2001)

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
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
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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65163
PNG
(US10166249, Example 511 | US9522888, 511)
Show SMILES CC(C)CCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
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
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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65164
PNG
(US10166249, Example 512 | US9522888, 512)
Show SMILES CCCCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22+/s2
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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65165
PNG
(US10166249, Example 513 | US9522888, 513)
Show SMILES CCCCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/s2
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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65166
PNG
(US10166249, Example 514 | US9522888, 514)
Show SMILES CC(C)(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C22H36NO4PS/c1-21(2,3)15-29-13-16-4-5-18-11-19(7-6-17(18)10-16)20-8-9-22(23,12-20)14-27-28(24,25)26/h6-7,11,16,20H,4-5,8-10,12-15,23H2,1-3H3,(H2,24,25,26)/t16-,20-,22+/s2
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J Med Chem 44: 2015-26 (2001)

More data for this
Ligand-Target Pair
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