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PubMed code 22583616

Compile data set for download or QSAR
Found 67 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 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP3 receptor


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420010
PNG
(CHEMBL2032301)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)cc(Cl)c12
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12(2)30-18-7-6-13(10-15(18)23)22-25-21(26-31-22)14-4-3-5-17-20(14)16(24)11-27(17)9-8-19(28)29/h3-7,10-12H,8-9H2,1-2H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420023
PNG
(CHEMBL2032315)
Show SMILES OC(=O)CCCCCc1ccn2nc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)21-16-19(11-12-20(21)18-8-4-2-5-9-18)24-29-22-15-17(13-14-31(22)30-24)7-3-1-6-10-23(32)33/h2,4-5,8-9,11-16H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420014
PNG
(CHEMBL2032306)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCC(O)=O)cnc2o1
Show InChI InChI=1S/C19H19ClN2O4/c1-11(2)25-16-7-6-13(9-14(16)20)18-22-15-8-12(4-3-5-17(23)24)10-21-19(15)26-18/h6-11H,3-5H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420017
PNG
(CHEMBL2032309)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C22H23F3N2O4/c1-13(2)30-18-9-8-15(11-16(18)22(23,24)25)20-27-17-10-14(12-26-21(17)31-20)6-4-3-5-7-19(28)29/h8-13H,3-7H2,1-2H3,(H,28,29)
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420034
PNG
(CHEMBL2032436)
Show SMILES OC(=O)C1CCN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-17-21(7-8-22(23)19-4-2-1-3-5-19)26-32-24-16-18(6-9-25(24)36-26)10-13-33-14-11-20(12-15-33)27(34)35/h1-9,16-17,20H,10-15H2,(H,34,35)
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420039
PNG
(CHEMBL2032304)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CC(O)=O)cnc2o1
Show InChI InChI=1S/C17H15ClN2O4/c1-9(2)23-14-4-3-11(7-12(14)18)16-20-13-5-10(6-15(21)22)8-19-17(13)24-16/h3-5,7-9H,6H2,1-2H3,(H,21,22)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420009
PNG
(CHEMBL2032441)
Show SMILES OC(=O)C1CN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-14-19(9-10-21(22)18-6-2-1-3-7-18)25-31-23-13-17(8-11-24(23)35-25)5-4-12-32-15-20(16-32)26(33)34/h1-3,6-11,13-14,20H,4-5,12,15-16H2,(H,33,34)
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n/an/an/an/a 0.100n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420016
PNG
(CHEMBL2032308)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C20H22ClN3O4/c1-12(2)27-19-15(21)9-14(11-23-19)18-24-16-8-13(10-22-20(16)28-18)6-4-3-5-7-17(25)26/h8-12H,3-7H2,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420018
PNG
(CHEMBL2032310)
Show SMILES CC(C)Oc1ncc(cc1C(F)(F)F)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C21H22F3N3O4/c1-12(2)30-19-15(21(22,23)24)9-14(11-26-19)18-27-16-8-13(10-25-20(16)31-18)6-4-3-5-7-17(28)29/h8-12H,3-7H2,1-2H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420024
PNG
(CHEMBL2032316)
Show SMILES OC(=O)CCCCCc1ccc2[nH]c(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3NO2/c28-27(29,30)23-16-20(12-13-22(23)19-8-4-2-5-9-19)25-17-21-15-18(11-14-24(21)31-25)7-3-1-6-10-26(32)33/h2,4-5,8-9,11-17,31H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420033
PNG
(CHEMBL2032435)
Show SMILES OC(=O)CN1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)21-14-18(6-8-20(21)17-4-2-1-3-5-17)25-30-22-15-19(7-9-23(22)35-25)32-12-10-31(11-13-32)16-24(33)34/h1-9,14-15H,10-13,16H2,(H,33,34)
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420009
PNG
(CHEMBL2032441)
Show SMILES OC(=O)C1CN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-14-19(9-10-21(22)18-6-2-1-3-7-18)25-31-23-13-17(8-11-24(23)35-25)5-4-12-32-15-20(16-32)26(33)34/h1-3,6-11,13-14,20H,4-5,12,15-16H2,(H,33,34)
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420011
PNG
(CHEMBL2032302)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C20H21ClN2O4/c1-12(2)26-17-8-7-14(10-15(17)21)19-23-16-9-13(11-22-20(16)27-19)5-3-4-6-18(24)25/h7-12H,3-6H2,1-2H3,(H,24,25)
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420023
PNG
(CHEMBL2032315)
Show SMILES OC(=O)CCCCCc1ccn2nc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)21-16-19(11-12-20(21)18-8-4-2-5-9-18)24-29-22-15-17(13-14-31(22)30-24)7-3-1-6-10-23(32)33/h2,4-5,8-9,11-16H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420029
PNG
(CHEMBL2032431)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-14-18(6-8-20(21)16-4-2-1-3-5-16)24-30-22-15-19(7-9-23(22)34-24)31-12-10-17(11-13-31)25(32)33/h1-9,14-15,17H,10-13H2,(H,32,33)
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n/an/an/an/a 0.631n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420031
PNG
(CHEMBL2032433)
Show SMILES OC(=O)CN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-14-20(6-8-21(22)18-4-2-1-3-5-18)26-31-23-15-19(7-9-24(23)35-26)17-10-12-32(13-11-17)16-25(33)34/h1-9,14-15,17H,10-13,16H2,(H,33,34)
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420033
PNG
(CHEMBL2032435)
Show SMILES OC(=O)CN1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)21-14-18(6-8-20(21)17-4-2-1-3-5-17)25-30-22-15-19(7-9-23(22)35-25)32-12-10-31(11-13-32)16-24(33)34/h1-9,14-15H,10-13,16H2,(H,33,34)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420036
PNG
(CHEMBL2032438)
Show SMILES OC(=O)C1CCCN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C29H27F3N2O3/c30-29(31,32)24-17-21(11-12-23(24)20-7-2-1-3-8-20)27-33-25-16-19(10-13-26(25)37-27)6-4-14-34-15-5-9-22(18-34)28(35)36/h1-3,7-8,10-13,16-17,22H,4-6,9,14-15,18H2,(H,35,36)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420013
PNG
(CHEMBL2032305)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCC(O)=O)cnc2o1
Show InChI InChI=1S/C18H17ClN2O4/c1-10(2)24-15-5-4-12(8-13(15)19)17-21-14-7-11(3-6-16(22)23)9-20-18(14)25-17/h4-5,7-10H,3,6H2,1-2H3,(H,22,23)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420022
PNG
(CHEMBL2032314)
Show SMILES OC(=O)CCCCCc1ccn2cc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N2O2/c27-26(28,29)22-16-20(11-12-21(22)19-8-4-2-5-9-19)23-17-31-14-13-18(15-24(31)30-23)7-3-1-6-10-25(32)33/h2,4-5,8-9,11-17H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420025
PNG
(CHEMBL2032317)
Show SMILES OC(=O)CCCCCc1cn2cc(nc2s1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O2S/c25-24(26,27)20-13-17(11-12-19(20)16-7-3-1-4-8-16)21-15-29-14-18(32-23(29)28-21)9-5-2-6-10-22(30)31/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420037
PNG
(CHEMBL2032439)
Show SMILES OC(=O)C1CN(C1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)19-10-15(6-8-18(19)14-4-2-1-3-5-14)22-28-20-11-17(7-9-21(20)32-22)29-12-16(13-29)23(30)31/h1-11,16H,12-13H2,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420038
PNG
(CHEMBL2032440)
Show SMILES OC(=O)C1CN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-13-18(7-8-20(21)17-4-2-1-3-5-17)24-30-22-12-16(6-9-23(22)34-24)10-11-31-14-19(15-31)25(32)33/h1-9,12-13,19H,10-11,14-15H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420015
PNG
(CHEMBL2032307)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(2)27-18-9-8-15(11-16(18)22)20-24-17-10-14(12-23-21(17)28-20)6-4-3-5-7-19(25)26/h8-13H,3-7H2,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420021
PNG
(CHEMBL2032313)
Show SMILES OC(=O)CCCCCc1cnc2sc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O2S/c26-25(27,28)20-14-18(11-12-19(20)17-8-4-2-5-9-17)23-30-21-13-16(15-29-24(21)33-23)7-3-1-6-10-22(31)32/h2,4-5,8-9,11-15H,1,3,6-7,10H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420024
PNG
(CHEMBL2032316)
Show SMILES OC(=O)CCCCCc1ccc2[nH]c(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3NO2/c28-27(29,30)23-16-20(12-13-22(23)19-8-4-2-5-9-19)25-17-21-15-18(11-14-24(21)31-25)7-3-1-6-10-26(32)33/h2,4-5,8-9,11-17,31H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420035
PNG
(CHEMBL2032437)
Show SMILES OC(=O)C1CCN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N2O3/c30-29(31,32)24-18-22(9-10-23(24)20-6-2-1-3-7-20)27-33-25-17-19(8-11-26(25)37-27)5-4-14-34-15-12-21(13-16-34)28(35)36/h1-3,6-11,17-18,21H,4-5,12-16H2,(H,35,36)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420031
PNG
(CHEMBL2032433)
Show SMILES OC(=O)CN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-14-20(6-8-21(22)18-4-2-1-3-5-18)26-31-23-15-19(7-9-24(23)35-26)17-10-12-32(13-11-17)16-25(33)34/h1-9,14-15,17H,10-13,16H2,(H,33,34)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420039
PNG
(CHEMBL2032304)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CC(O)=O)cnc2o1
Show InChI InChI=1S/C17H15ClN2O4/c1-9(2)23-14-4-3-11(7-12(14)18)16-20-13-5-10(6-15(21)22)8-19-17(13)24-16/h3-5,7-9H,6H2,1-2H3,(H,21,22)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420011
PNG
(CHEMBL2032302)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C20H21ClN2O4/c1-12(2)26-17-8-7-14(10-15(17)21)19-23-16-9-13(11-22-20(16)27-19)5-3-4-6-18(24)25/h7-12H,3-6H2,1-2H3,(H,24,25)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420029
PNG
(CHEMBL2032431)
Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-14-18(6-8-20(21)16-4-2-1-3-5-16)24-30-22-15-19(7-9-23(22)34-24)31-12-10-17(11-13-31)25(32)33/h1-9,14-15,17H,10-13H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420036
PNG
(CHEMBL2032438)
Show SMILES OC(=O)C1CCCN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C29H27F3N2O3/c30-29(31,32)24-17-21(11-12-23(24)20-7-2-1-3-8-20)27-33-25-16-19(10-13-26(25)37-27)6-4-14-34-15-5-9-22(18-34)28(35)36/h1-3,7-8,10-13,16-17,22H,4-6,9,14-15,18H2,(H,35,36)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420016
PNG
(CHEMBL2032308)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C20H22ClN3O4/c1-12(2)27-19-15(21)9-14(11-23-19)18-24-16-8-13(10-22-20(16)28-18)6-4-3-5-7-17(25)26/h8-12H,3-7H2,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420040
PNG
(CHEMBL2032300)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)ccc12
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-7-6-14(12-17(19)23)22-24-21(25-30-22)16-4-3-5-18-15(16)8-10-26(18)11-9-20(27)28/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420022
PNG
(CHEMBL2032314)
Show SMILES OC(=O)CCCCCc1ccn2cc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N2O2/c27-26(28,29)22-16-20(11-12-21(22)19-8-4-2-5-9-19)23-17-31-14-13-18(15-24(31)30-23)7-3-1-6-10-25(32)33/h2,4-5,8-9,11-17H,1,3,6-7,10H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420026
PNG
(CHEMBL2032428)
Show SMILES OC(=O)CNCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(9-10-19(20)17-6-2-1-3-7-17)24-30-21-13-16(8-11-22(21)33-24)5-4-12-29-15-23(31)32/h1-3,6-11,13-14,29H,4-5,12,15H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420032
PNG
(CHEMBL2032434)
Show SMILES OC(=O)CCN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-16-21(6-8-22(23)19-4-2-1-3-5-19)27-32-24-17-20(7-9-25(24)36-27)18-10-13-33(14-11-18)15-12-26(34)35/h1-9,16-18H,10-15H2,(H,34,35)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420019
PNG
(CHEMBL2032311)
Show SMILES OC(=O)CCCCCc1cnc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(11-12-19(20)17-8-4-2-5-9-17)23-30-21-13-16(15-29-24(21)33-23)7-3-1-6-10-22(31)32/h2,4-5,8-9,11-15H,1,3,6-7,10H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420020
PNG
(CHEMBL2032312)
Show SMILES OC(=O)CCCCCc1cnc2oc(nc2c1)-c1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C23H19F3N2O3S/c24-23(25,26)20-16(15-8-4-2-5-9-15)12-18(32-20)22-28-17-11-14(13-27-21(17)31-22)7-3-1-6-10-19(29)30/h2,4-5,8-9,11-13H,1,3,6-7,10H2,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420021
PNG
(CHEMBL2032313)
Show SMILES OC(=O)CCCCCc1cnc2sc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O2S/c26-25(27,28)20-14-18(11-12-19(20)17-8-4-2-5-9-17)23-30-21-13-16(15-29-24(21)33-23)7-3-1-6-10-22(31)32/h2,4-5,8-9,11-15H,1,3,6-7,10H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420026
PNG
(CHEMBL2032428)
Show SMILES OC(=O)CNCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(9-10-19(20)17-6-2-1-3-7-17)24-30-21-13-16(8-11-22(21)33-24)5-4-12-29-15-23(31)32/h1-3,6-11,13-14,29H,4-5,12,15H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420035
PNG
(CHEMBL2032437)
Show SMILES OC(=O)C1CCN(CCCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N2O3/c30-29(31,32)24-18-22(9-10-23(24)20-6-2-1-3-7-20)27-33-25-17-19(8-11-26(25)37-27)5-4-14-34-15-12-21(13-16-34)28(35)36/h1-3,6-11,17-18,21H,4-5,12-16H2,(H,35,36)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420018
PNG
(CHEMBL2032310)
Show SMILES CC(C)Oc1ncc(cc1C(F)(F)F)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C21H22F3N3O4/c1-12(2)30-19-15(21(22,23)24)9-14(11-26-19)18-27-16-8-13(10-25-20(16)31-18)6-4-3-5-7-17(28)29/h8-12H,3-7H2,1-2H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420038
PNG
(CHEMBL2032440)
Show SMILES OC(=O)C1CN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-13-18(7-8-20(21)17-4-2-1-3-5-17)24-30-22-12-16(6-9-23(22)34-24)10-11-31-14-19(15-31)25(32)33/h1-9,12-13,19H,10-11,14-15H2,(H,32,33)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420008
PNG
(CHEMBL2032318)
Show SMILES OC(=O)CCCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)21-16-19(12-13-20(21)18-8-4-2-5-9-18)25-30-22-15-17(11-14-23(22)33-25)7-3-1-6-10-24(31)32/h2,4-5,8-9,11-16H,1,3,6-7,10H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420015
PNG
(CHEMBL2032307)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(2)27-18-9-8-15(11-16(18)22)20-24-17-10-14(12-23-21(17)28-20)6-4-3-5-7-19(25)26/h8-13H,3-7H2,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420032
PNG
(CHEMBL2032434)
Show SMILES OC(=O)CCN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-16-21(6-8-22(23)19-4-2-1-3-5-19)27-32-24-17-20(7-9-25(24)36-27)18-10-13-33(14-11-18)15-12-26(34)35/h1-9,16-18H,10-15H2,(H,34,35)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420034
PNG
(CHEMBL2032436)
Show SMILES OC(=O)C1CCN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-17-21(7-8-22(23)19-4-2-1-3-5-19)26-32-24-16-18(6-9-25(24)36-26)10-13-33-14-11-20(12-15-33)27(34)35/h1-9,16-17,20H,10-15H2,(H,34,35)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420013
PNG
(CHEMBL2032305)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCC(O)=O)cnc2o1
Show InChI InChI=1S/C18H17ClN2O4/c1-10(2)24-15-5-4-12(8-13(15)19)17-21-14-7-11(3-6-16(22)23)9-20-18(14)25-17/h4-5,7-10H,3,6H2,1-2H3,(H,22,23)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420020
PNG
(CHEMBL2032312)
Show SMILES OC(=O)CCCCCc1cnc2oc(nc2c1)-c1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C23H19F3N2O3S/c24-23(25,26)20-16(15-8-4-2-5-9-15)12-18(32-20)22-28-17-11-14(13-27-21(17)31-22)7-3-1-6-10-19(29)30/h2,4-5,8-9,11-13H,1,3,6-7,10H2,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420025
PNG
(CHEMBL2032317)
Show SMILES OC(=O)CCCCCc1cn2cc(nc2s1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O2S/c25-24(26,27)20-13-17(11-12-19(20)16-7-3-1-4-8-16)21-15-29-14-18(32-23(29)28-21)9-5-2-6-10-22(30)31/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420030
PNG
(CHEMBL2032432)
Show SMILES OC(=O)CC1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-15-19(6-8-21(22)18-4-2-1-3-5-18)26-31-23-16-20(7-9-24(23)35-26)32-12-10-17(11-13-32)14-25(33)34/h1-9,15-17H,10-14H2,(H,33,34)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420037
PNG
(CHEMBL2032439)
Show SMILES OC(=O)C1CN(C1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)19-10-15(6-8-18(19)14-4-2-1-3-5-14)22-28-20-11-17(7-9-21(20)32-22)29-12-16(13-29)23(30)31/h1-11,16H,12-13H2,(H,30,31)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420008
PNG
(CHEMBL2032318)
Show SMILES OC(=O)CCCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)21-16-19(12-13-20(21)18-8-4-2-5-9-18)25-30-22-15-17(11-14-23(22)33-25)7-3-1-6-10-24(31)32/h2,4-5,8-9,11-16H,1,3,6-7,10H2,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420012
PNG
(CHEMBL2032303)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(cnc2o1)C(O)=O
Show InChI InChI=1S/C16H13ClN2O4/c1-8(2)22-13-4-3-9(5-11(13)17)14-19-12-6-10(16(20)21)7-18-15(12)23-14/h3-8H,1-2H3,(H,20,21)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420014
PNG
(CHEMBL2032306)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCCC(O)=O)cnc2o1
Show InChI InChI=1S/C19H19ClN2O4/c1-11(2)25-16-7-6-13(9-14(16)20)18-22-15-8-12(4-3-5-17(23)24)10-21-19(15)26-18/h6-11H,3-5H2,1-2H3,(H,23,24)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420017
PNG
(CHEMBL2032309)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc2cc(CCCCCC(O)=O)cnc2o1
Show InChI InChI=1S/C22H23F3N2O4/c1-13(2)30-18-9-8-15(11-16(18)22(23,24)25)20-27-17-10-14(12-26-21(17)31-20)6-4-3-5-7-19(28)29/h8-13H,3-7H2,1-2H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420027
PNG
(CHEMBL2032429)
Show SMILES CN(CCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C26H23F3N2O3/c1-31(16-24(32)33)13-5-6-17-9-12-23-22(14-17)30-25(34-23)19-10-11-20(18-7-3-2-4-8-18)21(15-19)26(27,28)29/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,32,33)
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420028
PNG
(CHEMBL2032430)
Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420030
PNG
(CHEMBL2032432)
Show SMILES OC(=O)CC1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-15-19(6-8-21(22)18-4-2-1-3-5-18)26-31-23-16-20(7-9-24(23)35-26)32-12-10-17(11-13-32)14-25(33)34/h1-9,15-17H,10-14H2,(H,33,34)
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420010
PNG
(CHEMBL2032301)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)cc(Cl)c12
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12(2)30-18-7-6-13(10-15(18)23)22-25-21(26-31-22)14-4-3-5-17-20(14)16(24)11-27(17)9-8-19(28)29/h3-7,10-12H,8-9H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.0251n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420012
PNG
(CHEMBL2032303)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(cnc2o1)C(O)=O
Show InChI InChI=1S/C16H13ClN2O4/c1-8(2)22-13-4-3-9(5-11(13)17)14-19-12-6-10(16(20)21)7-18-15(12)23-14/h3-8H,1-2H3,(H,20,21)
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n/an/an/an/a>3.16E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420019
PNG
(CHEMBL2032311)
Show SMILES OC(=O)CCCCCc1cnc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(11-12-19(20)17-8-4-2-5-9-17)23-30-21-13-16(15-29-24(21)33-23)7-3-1-6-10-22(31)32/h2,4-5,8-9,11-15H,1,3,6-7,10H2,(H,31,32)
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420027
PNG
(CHEMBL2032429)
Show SMILES CN(CCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(O)=O
Show InChI InChI=1S/C26H23F3N2O3/c1-31(16-24(32)33)13-5-6-17-9-12-23-22(14-17)30-25(34-23)19-10-11-20(18-7-3-2-4-8-18)21(15-19)26(27,28)29/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,32,33)
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420028
PNG
(CHEMBL2032430)
Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32)
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%