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Compile Data Set for Download or QSAR

Found 403 hits with Last Name = 'seko' and Initial = 't'   
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 2


(Homo sapiens (Human))		BDBM149712
PNG
(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
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n/an/a 2.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065614
PNG
(CHEMBL3401386)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)NC)c1
Show InChI InChI=1S/C32H38FN3O5/c1-4-22(5-2)21-32(39)14-16-36(17-15-32)31(38)35-25-18-28(40-26-10-6-23(7-11-26)30(37)34-3)20-29(19-25)41-27-12-8-24(33)9-13-27/h6-13,18-20,22,39H,4-5,14-17,21H2,1-3H3,(H,34,37)(H,35,38)
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n/an/a 3n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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n/an/a 3.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50195700
PNG
(CHEMBL3975893)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
Show InChI InChI=1S/C33H32ClNO6/c1-22-30(39-2)18-25(19-31(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-29-16-13-26(34)20-28(29)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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n/an/a 3.5n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...

ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143197
PNG
(CHEMBL3759037)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(C(O)=O)c(Cl)c2)c1
Show InChI InChI=1S/C29H30ClFN2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(31)4-6-21)15-24(14-20)39-22-7-8-25(27(34)35)26(30)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 3.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 3.70n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 3.70n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143192
PNG
(CHEMBL3758929)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C29H31FN2O6/c1-19(2)18-29(36)11-13-32(14-12-29)28(35)31-22-15-25(37-23-7-3-20(4-8-23)27(33)34)17-26(16-22)38-24-9-5-21(30)6-10-24/h3-10,15-17,19,36H,11-14,18H2,1-2H3,(H,31,35)(H,33,34)
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n/an/a 4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065610
PNG
(CHEMBL3401382)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C30H36FN3O6S/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-23-17-26(39-24-7-5-22(31)6-8-24)19-27(18-23)40-25-9-11-28(12-10-25)41(32,37)38/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)(H2,32,37,38)
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n/an/a 4.10n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50120582
PNG
(CHEMBL3618199)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36)
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n/an/a 4.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 4.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM149709
PNG
(US8975409, Example 19)
Show SMILES CC(C)CC1(O)CN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)16-30(37)17-33(18-30)28(36)32-22-13-25(15-26(14-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-15,19,37H,16-18H2,1-4H3,(H,32,36)(H,34,35)
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n/an/a 5.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50120583
PNG
(CHEMBL3618200)
Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50195694
PNG
(CHEMBL3976876)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(Cl)ccc2C(O)=O)cc1
Show InChI InChI=1S/C33H32ClNO6/c1-22-29(39-2)18-25(19-30(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-31-20-26(34)13-16-28(31)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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n/an/a 5.90n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...

ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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n/an/a 6.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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n/an/a 6.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143201
PNG
(CHEMBL3759864)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C32H35FN2O6/c1-21(2)20-31(39)13-15-35(16-14-31)30(38)34-24-17-27(19-28(18-24)41-26-9-5-23(33)6-10-26)40-25-7-3-22(4-8-25)32(11-12-32)29(36)37/h3-10,17-19,21,39H,11-16,20H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 6.40n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143203
PNG
(CHEMBL3759434)
Show SMILES CC(C)CC1(O)CCN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)
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n/an/a 8.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143206
PNG
(CHEMBL3759532)
Show SMILES CC(C)(C(O)=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C3)C3CCCC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C32H35FN2O6/c1-31(2,29(36)37)21-7-11-25(12-8-21)40-27-17-24(18-28(19-27)41-26-13-9-23(33)10-14-26)34-30(38)35-16-15-32(39,20-35)22-5-3-4-6-22/h7-14,17-19,22,39H,3-6,15-16,20H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065615
PNG
(CHEMBL3401387)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N(C)C)c1
Show InChI InChI=1S/C33H40FN3O5/c1-5-23(6-2)22-33(40)15-17-37(18-16-33)32(39)35-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)36(3)4/h7-14,19-21,23,40H,5-6,15-18,22H2,1-4H3,(H,35,39)
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n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143202
PNG
(CHEMBL3758872)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)12-14-35(15-13-32)30(38)34-24-17-27(40-25-10-8-23(33)9-11-25)19-28(18-24)41-26-7-5-6-22(16-26)31(3,4)29(36)37/h5-11,16-19,21,39H,12-15,20H2,1-4H3,(H,34,38)(H,36,37)
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n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143200
PNG
(CHEMBL3758775)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-20(2)19-31(38)12-14-34(15-13-31)30(37)33-24-16-27(18-28(17-24)40-26-10-6-23(32)7-11-26)39-25-8-4-22(5-9-25)21(3)29(35)36/h4-11,16-18,20-21,38H,12-15,19H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 9.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065628
PNG
(CHEMBL1368758 | US9663511, Compound JTE013)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12
Show InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
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n/an/a 10n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin)

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143198
PNG
(CHEMBL3758974)
Show SMILES COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(O)=O
Show InChI InChI=1S/C30H33FN2O7/c1-19(2)18-30(37)10-12-33(13-11-30)29(36)32-21-14-24(39-22-6-4-20(31)5-7-22)16-25(15-21)40-23-8-9-26(28(34)35)27(17-23)38-3/h4-9,14-17,19,37H,10-13,18H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143191
PNG
(CHEMBL3758214)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-3-21(4-2)20-31(38)13-15-34(16-14-31)30(37)33-24-17-27(39-25-9-5-22(6-10-25)29(35)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H,33,37)(H,35,36)
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n/an/a 12n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50120579
PNG
(CHEMBL3618196)
Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38)
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n/an/a 13n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065612
PNG
(CHEMBL3401384)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)12-14-35(15-13-31)30(37)34-24-17-27(39-25-10-8-23(32)9-11-25)19-28(18-24)40-26-7-5-6-22(16-26)29(33)36/h5-11,16-19,21,38H,3-4,12-15,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 13n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50120581
PNG
(CHEMBL3618198)
Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35)
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n/an/a 14n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50195690
PNG
(CHEMBL3917128)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(C)ccc2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-12-17-29(34(37)38)32(19-23)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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n/an/a 15n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...

ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))		BDBM50120580
PNG
(CHEMBL3618197)
Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H27F2N3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38)
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n/an/a 17n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143205
PNG
(CHEMBL3758803)
Show SMILES CC(C)(C(O)=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C3)C3CCCCC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C33H37FN2O6/c1-32(2,30(37)38)22-8-12-26(13-9-22)41-28-18-25(19-29(20-28)42-27-14-10-24(34)11-15-27)35-31(39)36-17-16-33(40,21-36)23-6-4-3-5-7-23/h8-15,18-20,23,40H,3-7,16-17,21H2,1-2H3,(H,35,39)(H,37,38)
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n/an/a 17n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143195
PNG
(CHEMBL3759799)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2F)C(O)=O)c1
Show InChI InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-21-14-23(38-22-6-4-20(30)5-7-22)16-24(15-21)39-26-8-3-19(27(34)35)13-25(26)31/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 17n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143193
PNG
(CHEMBL3759551)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)cc(Oc2ccc(F)cc2F)c1
Show InChI InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-21-14-23(38-22-6-3-19(4-7-22)27(34)35)16-24(15-21)39-26-8-5-20(30)13-25(26)31/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143199
PNG
(CHEMBL3759492)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(CC(O)=O)cc2)c1
Show InChI InChI=1S/C30H33FN2O6/c1-20(2)19-30(37)11-13-33(14-12-30)29(36)32-23-16-26(38-24-7-3-21(4-8-24)15-28(34)35)18-27(17-23)39-25-9-5-22(31)6-10-25/h3-10,16-18,20,37H,11-15,19H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 21n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065610
PNG
(CHEMBL3401382)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C30H36FN3O6S/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-23-17-26(39-24-7-5-22(31)6-8-24)19-27(18-23)40-25-9-11-28(12-10-25)41(32,37)38/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)(H2,32,37,38)
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n/an/a 21n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143194
PNG
(CHEMBL3758346)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)cc(Oc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(4-6-21)27(34)35)15-24(14-20)39-22-7-8-25(30)26(31)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 25n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065614
PNG
(CHEMBL3401386)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)NC)c1
Show InChI InChI=1S/C32H38FN3O5/c1-4-22(5-2)21-32(39)14-16-36(17-15-32)31(38)35-25-18-28(40-26-10-6-23(7-11-26)30(37)34-3)20-29(19-25)41-27-12-8-24(33)9-13-27/h6-13,18-20,22,39H,4-5,14-17,21H2,1-3H3,(H,34,37)(H,35,38)
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n/an/a 27n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143204
PNG
(CHEMBL3760061)
Show SMILES CC(C)C1(O)CCN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)30(37)13-14-33(18-30)28(36)32-22-15-25(17-26(16-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-12,15-17,19,37H,13-14,18H2,1-4H3,(H,32,36)(H,34,35)
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n/an/a 29n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50143196
PNG
(CHEMBL3759218)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(C(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(30)4-6-21)15-24(14-20)39-22-7-8-25(27(34)35)26(31)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 34n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...

Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 39n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50120583
PNG
(CHEMBL3618200)
Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
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n/an/a 39n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 39n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50120582
PNG
(CHEMBL3618199)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36)
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n/an/a 39n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay

Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50195693
PNG
(CHEMBL3947597)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(C)cc2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-12-17-30(29(19-23)34(37)38)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-31(39-3)24(2)32(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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n/an/a 42n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...

ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065615
PNG
(CHEMBL3401387)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N(C)C)c1
Show InChI InChI=1S/C33H40FN3O5/c1-5-23(6-2)22-33(40)15-17-37(18-16-33)32(39)35-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)36(3)4/h7-14,19-21,23,40H,5-6,15-18,22H2,1-4H3,(H,35,39)
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n/an/a 43n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a 45n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065616
PNG
(CHEMBL3401388)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)20-29(35)11-15-33(16-12-29)28(34)32-23-17-26(36-24-7-5-22(30)6-8-24)19-27(18-23)37-25-9-13-31-14-10-25/h5-10,13-14,17-19,21,35H,3-4,11-12,15-16,20H2,1-2H3,(H,32,34)
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n/an/a 45n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065613
PNG
(CHEMBL3401385)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccccc2C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-23-17-25(39-24-11-9-22(32)10-12-24)19-26(18-23)40-28-8-6-5-7-27(28)29(33)36/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 49n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a 58n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...

Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50195778
PNG
(CHEMBL3971582)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C33H33NO6/c1-23-30(38-2)20-26(21-31(23)39-3)32(35)34(19-9-12-24-10-5-4-6-11-24)22-25-15-17-27(18-16-25)40-29-14-8-7-13-28(29)33(36)37/h4-8,10-11,13-18,20-21H,9,12,19,22H2,1-3H3,(H,36,37)
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n/an/a 71n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...

ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
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