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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'morrison' and Initial = 'h'   
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
Activin receptor type-1


(Homo sapiens (Human))
BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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US Patent
n/an/a 8 25n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...


US Patent US9469613 (2016)


BindingDB Entry DOI: 10.7270/Q2J1024J
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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US Patent
n/an/a 107 19n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...


US Patent US9469613 (2016)


BindingDB Entry DOI: 10.7270/Q2J1024J
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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US Patent
n/an/a 205 670n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...


US Patent US9469613 (2016)


BindingDB Entry DOI: 10.7270/Q2J1024J
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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n/an/a 405 1.00E+3n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...


US Patent US9469613 (2016)


BindingDB Entry DOI: 10.7270/Q2J1024J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50361891
PNG
(CHEMBL1938952)
Show SMILES COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 2: 752-757 (2011)


Article DOI: 10.1021/ml2001399
BindingDB Entry DOI: 10.7270/Q21837G0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50361891
PNG
(CHEMBL1938952)
Show SMILES COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


ACS Med Chem Lett 2: 752-757 (2011)


Article DOI: 10.1021/ml2001399
BindingDB Entry DOI: 10.7270/Q21837G0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50361891
PNG
(CHEMBL1938952)
Show SMILES COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


ACS Med Chem Lett 2: 752-757 (2011)


Article DOI: 10.1021/ml2001399
BindingDB Entry DOI: 10.7270/Q21837G0
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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n/an/an/an/a>2.50E+4n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 27n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361891
PNG
(CHEMBL1938952)
Show SMILES COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
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n/an/an/an/a>2.50E+4n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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n/an/an/an/a 270n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361891
PNG
(CHEMBL1938952)
Show SMILES COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
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n/an/an/an/a 35n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/s2
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n/an/an/an/a 18n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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n/an/an/an/a 2n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 70n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361893
PNG
(CHEMBL1938939)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 4.10E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361894
PNG
(CHEMBL1938938)
Show SMILES Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-19-10-6-5-9-17(19)21(30)20(28-29)22(31)27-15-11-12-16(14-7-3-2-4-8-14)18(13-15)23(24,25)26/h2-13H,1H3,(H,27,31)
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n/an/an/an/a 41n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 24n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361897
PNG
(CHEMBL1938941)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccncc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-9-10-27-12-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 29n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361898
PNG
(CHEMBL1938943)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(n2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31)
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n/an/an/an/a 42n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361899
PNG
(CHEMBL1938945)
Show SMILES Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-9-5-6-10-19(16)29)22(31)28-15-11-18(23(24,25)26)20(27-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.90E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361900
PNG
(CHEMBL1938944)
Show SMILES Cn1cc(C(=O)Nc2cc(c(cn2)-c2ccccc2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)15-9-5-6-10-19(15)29)22(31)28-20-11-18(23(24,25)26)16(12-27-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,27,28,31)
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n/an/an/an/a 1.10E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361901
PNG
(CHEMBL1938946)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 60n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361902
PNG
(CHEMBL1938947)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-6-2-3-7-20(17)29)22(31)28-15-8-9-16(14-5-4-10-27-12-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 310n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361903
PNG
(CHEMBL1938949)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(19(30)15-11-26-10-9-17(15)29)21(31)28-18-8-7-14(13-5-3-2-4-6-13)20(27-18)22(23,24)25/h2-12H,1H3,(H,27,28,31)
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n/an/an/an/a 20n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361904
PNG
(CHEMBL1938948)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-4-2-3-5-20(17)29)22(31)28-15-6-7-16(14-8-10-27-11-9-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 450n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361905
PNG
(CHEMBL1938950)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
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n/an/an/an/a 200n/an/an/an/a



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Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361906
PNG
(CHEMBL1938951)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
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n/an/an/an/a 210n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361906
PNG
(CHEMBL1938951)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361905
PNG
(CHEMBL1938950)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361903
PNG
(CHEMBL1938949)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(19(30)15-11-26-10-9-17(15)29)21(31)28-18-8-7-14(13-5-3-2-4-6-13)20(27-18)22(23,24)25/h2-12H,1H3,(H,27,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361904
PNG
(CHEMBL1938948)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-4-2-3-5-20(17)29)22(31)28-15-6-7-16(14-8-10-27-11-9-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361902
PNG
(CHEMBL1938947)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-6-2-3-7-20(17)29)22(31)28-15-8-9-16(14-5-4-10-27-12-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361901
PNG
(CHEMBL1938946)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361899
PNG
(CHEMBL1938945)
Show SMILES Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-9-5-6-10-19(16)29)22(31)28-15-11-18(23(24,25)26)20(27-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361900
PNG
(CHEMBL1938944)
Show SMILES Cn1cc(C(=O)Nc2cc(c(cn2)-c2ccccc2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)15-9-5-6-10-19(15)29)22(31)28-20-11-18(23(24,25)26)16(12-27-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,27,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361898
PNG
(CHEMBL1938943)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(n2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361897
PNG
(CHEMBL1938941)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccncc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-9-10-27-12-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361893
PNG
(CHEMBL1938939)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361894
PNG
(CHEMBL1938938)
Show SMILES Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-19-10-6-5-9-17(19)21(30)20(28-29)22(31)27-15-11-12-16(14-7-3-2-4-8-14)18(13-15)23(24,25)26/h2-13H,1H3,(H,27,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 1.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50364433
PNG
(CHEMBL1950574)
Show SMILES C[C@@](N)(CCc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1)C(O)=O
Show InChI InChI=1/C26H24FN3O2S/c1-25(28,24(31)32)12-11-16-7-8-18(19(27)15-16)22-29-20-9-10-21(30-23(20)33-22)26(13-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,28H2,1H3,(H,31,32)/t25-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based micr...


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50364434
PNG
(CHEMBL1950575)
Show SMILES C[C@](N)(CCc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1)C(O)=O
Show InChI InChI=1/C26H24FN3O2S/c1-25(28,24(31)32)12-11-16-7-8-18(19(27)15-16)22-29-20-9-10-21(30-23(20)33-22)26(13-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,28H2,1H3,(H,31,32)/t25-/s2
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n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based micr...


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
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n/an/an/an/a 888n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50364410
PNG
(CHEMBL1950480)
Show SMILES Fc1ccccc1-c1nc2ccc(nc2s1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C21H15FN2S/c22-16-9-5-4-8-15(16)19-23-17-10-11-18(24-20(17)25-19)21(12-13-21)14-6-2-1-3-7-14/h1-11H,12-13H2
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50364411
PNG
(CHEMBL1950482)
Show SMILES OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H15FN2O2S/c23-16-12-13(21(26)27)6-7-15(16)19-24-17-8-9-18(25-20(17)28-19)22(10-11-22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,26,27)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50364412
PNG
(CHEMBL1950483)
Show SMILES OC(=O)CCc1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C24H19FN2O2S/c25-18-14-15(7-11-21(28)29)6-8-17(18)22-26-19-9-10-20(27-23(19)30-22)24(12-13-24)16-4-2-1-3-5-16/h1-6,8-10,14H,7,11-13H2,(H,28,29)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
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