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Patent code US8975409

Compile Data Set for Download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine 1-phosphate receptor 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


(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/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


(Homo sapiens (Human))		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))		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


(Homo sapiens (Human))		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 3.40n/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))		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


(Homo sapiens (Human))		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 5.10n/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


(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/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


(Homo sapiens (Human))		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 7n/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


(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 9.40n/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))		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))		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))		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


(Homo sapiens (Human))		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 1.20E+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


(Homo sapiens (Human))		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 1.60E+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
* indicates data uncertainty>20%