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Patent code US9421177

Compile Data Set for Download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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 kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241939
PNG
(US9421177, VPC143237)
Show SMILES N\C(=N/O)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O3/c27-25(28-31)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-32-20-22-11-6-4-7-12-22/h14-17,22,24,31H,1-13,18-20H2,(H2,27,28)/t24-/m0/s1
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US Patent
75n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241937
PNG
(US9421177, VPC96091)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241924
PNG
(US9421177, VPC143144)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O3/c23-20(25-27)22(14-15-22)21(26)24-16-10-5-3-1-2-4-6-11-17-28-18-19-12-8-7-9-13-19/h19,27H,1-18H2,(H2,23,25)(H,24,26)
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110n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241927
PNG
(US9421177, VPC14a1051)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-24(28-30)25(16-17-25)27-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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US Patent
130n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241926
PNG
(US9421177, VPC143154)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-23(27-29)24(15-16-24)26-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-30-18-20-9-5-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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170n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241906
PNG
(US9421177, VPC96047)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)25-23(17-18-23)22(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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200n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241922
PNG
(US9421177, VPC143105)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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US Patent
240n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241915
PNG
(US9421177, VPC143064)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25-22(27)23(17-18-23)21(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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300n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241936
PNG
(US9421177, VPC96077)
Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241921
PNG
(US9421177, VPC143113)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-22(27-29)24(15-16-24)23(28)26-21-13-11-19(12-14-21)8-4-1-2-7-17-30-18-20-9-5-3-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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390n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241914
PNG
(US9421177, VPC143081)
Show SMILES CCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)24-21(26)22(16-17-22)20(23)25-27/h12-15,27H,2-11,16-17H2,1H3,(H2,23,25)(H,24,26)
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400n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241925
PNG
(US9421177, VPC14a1058)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)
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450n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241919
PNG
(US9421177, VPC143129)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)
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US Patent
500n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241906
PNG
(US9421177, VPC96047)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)25-23(17-18-23)22(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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500n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241932
PNG
(US9421177, VPC95291)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)22-20(16-17-20)19(21)23-25/h25H,2-17H2,1H3,(H2,21,23)(H,22,24)
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750n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241923
PNG
(US9421177, VPC143126)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O3/c27-24(29-31)26(17-18-26)25(30)28-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-32-20-22-11-7-5-8-12-22/h13-16,22,31H,1-12,17-20H2,(H2,27,29)(H,28,30)
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800n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241920
PNG
(US9421177, VPC143119)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O2/c26-23(28-30)25(18-19-25)24(29)27-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20/h5,8-9,11-12,14-17,30H,1-4,6-7,10,13,18-19H2,(H2,26,28)(H,27,29)
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US Patent
1.30E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241928
PNG
(US9421177, VPC143090)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C29H43N3O3/c30-26(32-34)29(11-12-29)27(33)31-25-9-7-21(8-10-25)6-4-2-1-3-5-13-35-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24,34H,1-6,11-20H2,(H2,30,32)(H,31,33)
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US Patent
1.50E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241937
PNG
(US9421177, VPC96091)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241936
PNG
(US9421177, VPC96077)
Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241932
PNG
(US9421177, VPC95291)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)22-20(16-17-20)19(21)23-25/h25H,2-17H2,1H3,(H2,21,23)(H,22,24)
UniProtKB/SwissProt

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UniChem
US Patent
2.60E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241913
PNG
(US9421177, VPC143033)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)23-20(25)21(15-16-21)19(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
UniProtKB/SwissProt

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UniChem
US Patent
3.00E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241935
PNG
(US9421177, VPC95297)
Show SMILES CCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)22(26)25-17-10-12-20(25)21(23)24-27/h13-16,20,27H,2-12,17H2,1H3,(H2,23,24)/t20-/m0/s1
UniProtKB/SwissProt

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US Patent
4.00E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241911
PNG
(US9421177, VPC171167)
Show SMILES CCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C22H35N3O3/c1-2-3-4-5-6-7-8-9-10-17-28-19-13-11-18(12-14-19)20(26)24-22(15-16-22)21(23)25-27/h11-14,27H,2-10,15-17H2,1H3,(H2,23,25)(H,24,26)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241913
PNG
(US9421177, VPC143033)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)23-20(25)21(15-16-21)19(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241905
PNG
(US9421177, VPC95287)
Show SMILES CCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(25)23-21(15-16-21)20(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241928
PNG
(US9421177, VPC143090)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C29H43N3O3/c30-26(32-34)29(11-12-29)27(33)31-25-9-7-21(8-10-25)6-4-2-1-3-5-13-35-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24,34H,1-6,11-20H2,(H2,30,32)(H,31,33)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241905
PNG
(US9421177, VPC95287)
Show SMILES CCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(25)23-21(15-16-21)20(22)24-26/h11-14,26H,2-10,15-16H2,1H3,(H2,22,24)(H,23,25)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241935
PNG
(US9421177, VPC95297)
Show SMILES CCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)22(26)25-17-10-12-20(25)21(23)24-27/h13-16,20,27H,2-12,17H2,1H3,(H2,23,24)/t20-/m0/s1
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241918
PNG
(US9421177, VPC143078)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h4,6-7,10-15,30H,1-3,5,8-9,16-19H2,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241914
PNG
(US9421177, VPC143081)
Show SMILES CCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)24-21(26)22(16-17-22)20(23)25-27/h12-15,27H,2-11,16-17H2,1H3,(H2,23,25)(H,24,26)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241938
PNG
(US9421177, VPC96115)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@@H]1\C(N)=N\O
Show InChI InChI=1S/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/m1/s1
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241930
PNG
(US9421177, VPC143046)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-20(25)21(16-17-21)19(22)24-26/h26H,2-18H2,1H3,(H2,22,24)(H,23,25)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241929
PNG
(US9421177, VPC143057)
Show SMILES CCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C19H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(23)19(14-15-19)17(20)22-24/h24H,2-16H2,1H3,(H2,20,22)(H,21,23)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241915
PNG
(US9421177, VPC143064)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25-22(27)23(17-18-23)21(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241922
PNG
(US9421177, VPC143105)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241929
PNG
(US9421177, VPC143057)
Show SMILES CCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C19H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(23)19(14-15-19)17(20)22-24/h24H,2-16H2,1H3,(H2,20,22)(H,21,23)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241933
PNG
(US9421177, VPC95301)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)24-22(18-19-22)21(23)25-27/h9-10,27H,2-8,11-19H2,1H3,(H2,23,25)(H,24,26)/b10-9-
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241916
PNG
(US9421177, VPC143065)
Show SMILES CCCCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)27-24(29)25(19-20-25)23(26)28-30/h15-18,30H,2-14,19-20H2,1H3,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241931
PNG
(US9421177, VPC14a1002)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C23H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-22(27)23(18-19-23)21(24)26-28/h28H,2-20H2,1H3,(H2,24,26)(H,25,27)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241908
PNG
(US9421177, VPC96055)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C27H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24(20-18-23)25(31)29-27(21-22-27)26(28)30-32/h17-20,32H,2-16,21-22H2,1H3,(H2,28,30)(H,29,31)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241920
PNG
(US9421177, VPC143119)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O2/c26-23(28-30)25(18-19-25)24(29)27-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20/h5,8-9,11-12,14-17,30H,1-4,6-7,10,13,18-19H2,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241911
PNG
(US9421177, VPC171167)
Show SMILES CCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C22H35N3O3/c1-2-3-4-5-6-7-8-9-10-17-28-19-13-11-18(12-14-19)20(26)24-22(15-16-22)21(23)25-27/h11-14,27H,2-10,15-17H2,1H3,(H2,23,25)(H,24,26)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241919
PNG
(US9421177, VPC143129)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241907
PNG
(US9421177, VPC96021)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23(29)27-25(19-20-25)24(26)28-30/h15-18,30H,2-14,19-20H2,1H3,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241921
PNG
(US9421177, VPC143113)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-22(27-29)24(15-16-24)23(28)26-21-13-11-19(12-14-21)8-4-1-2-7-17-30-18-20-9-5-3-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241927
PNG
(US9421177, VPC14a1051)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-24(28-30)25(16-17-25)27-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241939
PNG
(US9421177, VPC143237)
Show SMILES N\C(=N/O)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O3/c27-25(28-31)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-32-20-22-11-6-4-7-12-22/h14-17,22,24,31H,1-13,18-20H2,(H2,27,28)/t24-/m0/s1
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241938
PNG
(US9421177, VPC96115)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@@H]1\C(N)=N\O
Show InChI InChI=1S/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/m1/s1
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241926
PNG
(US9421177, VPC143154)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-23(27-29)24(15-16-24)26-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-30-18-20-9-5-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241923
PNG
(US9421177, VPC143126)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O3/c27-24(29-31)26(17-18-26)25(30)28-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-32-20-22-11-7-5-8-12-22/h13-16,22,31H,1-12,17-20H2,(H2,27,29)(H,28,30)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241910
PNG
(US9421177, VPC171147)
Show SMILES CCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C20H31N3O3/c1-2-3-4-5-6-7-8-15-26-17-11-9-16(10-12-17)18(24)22-20(13-14-20)19(21)23-25/h9-12,25H,2-8,13-15H2,1H3,(H2,21,23)(H,22,24)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241904
PNG
(US9421177, VPC96031)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C19H29N3O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(23)21-19(13-14-19)18(20)22-24/h9-12,24H,2-8,13-14H2,1H3,(H2,20,22)(H,21,23)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241904
PNG
(US9421177, VPC96031)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C19H29N3O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(23)21-19(13-14-19)18(20)22-24/h9-12,24H,2-8,13-14H2,1H3,(H2,20,22)(H,21,23)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241925
PNG
(US9421177, VPC14a1058)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241924
PNG
(US9421177, VPC143144)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O3/c23-20(25-27)22(14-15-22)21(26)24-16-10-5-3-1-2-4-6-11-17-28-18-19-12-8-7-9-13-19/h19,27H,1-18H2,(H2,23,25)(H,24,26)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241917
PNG
(US9421177, VPC143066)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C27H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24(20-18-23)29-26(31)27(21-22-27)25(28)30-32/h17-20,32H,2-16,21-22H2,1H3,(H2,28,30)(H,29,31)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241907
PNG
(US9421177, VPC96021)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23(29)27-25(19-20-25)24(26)28-30/h15-18,30H,2-14,19-20H2,1H3,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241908
PNG
(US9421177, VPC96055)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C27H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24(20-18-23)25(31)29-27(21-22-27)26(28)30-32/h17-20,32H,2-16,21-22H2,1H3,(H2,28,30)(H,29,31)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241918
PNG
(US9421177, VPC143078)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h4,6-7,10-15,30H,1-3,5,8-9,16-19H2,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241912
PNG
(US9421177, VPC171137)
Show SMILES CCCCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C24H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-30-21-15-13-20(14-16-21)22(28)26-24(17-18-24)23(25)27-29/h13-16,29H,2-12,17-19H2,1H3,(H2,25,27)(H,26,28)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241912
PNG
(US9421177, VPC171137)
Show SMILES CCCCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C24H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-30-21-15-13-20(14-16-21)22(28)26-24(17-18-24)23(25)27-29/h13-16,29H,2-12,17-19H2,1H3,(H2,25,27)(H,26,28)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241933
PNG
(US9421177, VPC95301)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)24-22(18-19-22)21(23)25-27/h9-10,27H,2-8,11-19H2,1H3,(H2,23,25)(H,24,26)/b10-9-
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241910
PNG
(US9421177, VPC171147)
Show SMILES CCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C20H31N3O3/c1-2-3-4-5-6-7-8-15-26-17-11-9-16(10-12-17)18(24)22-20(13-14-20)19(21)23-25/h9-12,25H,2-8,13-15H2,1H3,(H2,21,23)(H,22,24)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241934
PNG
(US9421177, VPC95127)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C20H31N3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20(24)23-15-8-10-18(23)19(21)22-25/h11-14,18,25H,2-10,15H2,1H3,(H2,21,22)/t18-/m0/s1
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241909
PNG
(US9421177, VPC171117)
Show SMILES CCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C18H27N3O3/c1-2-3-4-5-6-13-24-15-9-7-14(8-10-15)16(22)20-18(11-12-18)17(19)21-23/h7-10,23H,2-6,11-13H2,1H3,(H2,19,21)(H,20,22)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241909
PNG
(US9421177, VPC171117)
Show SMILES CCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C18H27N3O3/c1-2-3-4-5-6-13-24-15-9-7-14(8-10-15)16(22)20-18(11-12-18)17(19)21-23/h7-10,23H,2-6,11-13H2,1H3,(H2,19,21)(H,20,22)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241917
PNG
(US9421177, VPC143066)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C27H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24(20-18-23)29-26(31)27(21-22-27)25(28)30-32/h17-20,32H,2-16,21-22H2,1H3,(H2,28,30)(H,29,31)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241916
PNG
(US9421177, VPC143065)
Show SMILES CCCCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)27-24(29)25(19-20-25)23(26)28-30/h15-18,30H,2-14,19-20H2,1H3,(H2,26,28)(H,27,29)
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Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


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More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241931
PNG
(US9421177, VPC14a1002)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C23H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-22(27)23(18-19-23)21(24)26-28/h28H,2-20H2,1H3,(H2,24,26)(H,25,27)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241930
PNG
(US9421177, VPC143046)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(\N)=N\O
Show InChI InChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-20(25)21(16-17-21)19(22)24-26/h26H,2-18H2,1H3,(H2,22,24)(H,23,25)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241934
PNG
(US9421177, VPC95127)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1S/C20H31N3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20(24)23-15-8-10-18(23)19(21)22-25/h11-14,18,25H,2-10,15H2,1H3,(H2,21,22)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%