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Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P47752   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM149710
PNG
(US8975409, Example 38)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(c1)C(=O)Oc1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39)
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n/an/a 1n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
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 1.70n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
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 2.5n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM149706
PNG
(US8975409, Example 13)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C34H39FN2O6/c1-3-23(4-2)22-33(41)15-17-37(18-16-33)32(40)36-26-19-29(21-30(20-26)43-28-11-7-25(35)8-12-28)42-27-9-5-24(6-10-27)34(13-14-34)31(38)39/h5-12,19-21,23,41H,3-4,13-18,22H2,1-2H3,(H,36,40)(H,38,39)
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n/an/a 3n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
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/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
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
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


(Rattus norvegicus (Rat))
BDBM149708
PNG
(US8975409, Example 15(6))
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N2CCCC(O)C2)c1
Show InChI InChI=1S/C36H44FN3O6/c1-3-25(4-2)23-36(44)15-18-39(19-16-36)35(43)38-28-20-32(22-33(21-28)46-31-13-9-27(37)10-14-31)45-30-11-7-26(8-12-30)34(42)40-17-5-6-29(41)24-40/h7-14,20-22,25,29,41,44H,3-6,15-19,23-24H2,1-2H3,(H,38,43)
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n/an/a 5n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
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
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM149707
PNG
(US8975409, Example 15(1))
Show SMILES CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C33H40FN3O5/c1-4-23(5-2)22-33(40)15-17-37(18-16-33)32(39)36-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)35-6-3/h7-14,19-21,23,40H,4-6,15-18,22H2,1-3H3,(H,35,38)(H,36,39)
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n/an/a 9.60n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
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


(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
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


(Rattus norvegicus (Rat))
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 20n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL)

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 receptor


J Med Chem 61: 9811-9840 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00294
BindingDB Entry DOI: 10.7270/Q2XK8J7N
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM149711
PNG
(US8975409, Comparative compound B)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H31FN2O3/c1-3-18(4-2)17-24(29)12-14-27(15-13-24)23(28)26-20-6-5-7-22(16-20)30-21-10-8-19(25)9-11-21/h5-11,16,18,29H,3-4,12-15,17H2,1-2H3,(H,26,28)
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n/an/a 27n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM50120513
PNG
(CHEMBL3618189)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26)
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n/an/a 72n/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))
BDBM149713
PNG
(US8975409, Comparative compound A)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2cc(F)cc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H30F4N2O3/c1-3-17(4-2)16-24(33)8-10-31(11-9-24)23(32)30-20-6-5-7-21(15-20)34-22-13-18(25(27,28)29)12-19(26)14-22/h5-7,12-15,17,33H,3-4,8-11,16H2,1-2H3,(H,30,32)
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n/an/a 72n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Rattus norvegicus (Rat))
BDBM50120514
PNG
(CHEMBL3618190)
Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C19H17BrF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
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n/an/a 690n/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