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Patent code US8623903

Compile Data Set for Download or QSAR
Found 17 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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111610
PNG
(US8623903, I-23)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(OC=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O5S/c1-17(2)30-19-7-9-20(10-8-19)31(27,28)24-13-11-18(12-14-24)25-15-23(29-16-26)21-5-3-4-6-22(21)25/h3-10,15-18H,11-14H2,1-2H3
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US Patent
 1.40n/a 1.60n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111612
PNG
(US8623903, I-31)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)n1cc(CC(O)=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H25FN2O5S/c1-15(2)31-19-4-6-20(7-5-19)32(29,30)25-10-9-18(14-25)26-13-16(11-23(27)28)21-8-3-17(24)12-22(21)26/h3-8,12-13,15,18H,9-11,14H2,1-2H3,(H,27,28)/t18-/m1/s1
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US Patent
 4.30n/a 2.90n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111611
PNG
(US8623903, I-30)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)n1cc(CC(O)=O)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C23H25ClN2O5S/c1-15(2)31-19-4-6-20(7-5-19)32(29,30)25-10-9-18(14-25)26-13-16(11-23(27)28)21-8-3-17(24)12-22(21)26/h3-8,12-13,15,18H,9-11,14H2,1-2H3,(H,27,28)/t18-/m1/s1
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 5.40n/a 1.20n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111606
PNG
(US8623903, I-14)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2cc(F)ccc12
Show InChI InChI=1S/C23H27FN2O3S/c1-16(2)29-20-5-7-21(8-6-20)30(27,28)25-12-10-19(11-13-25)26-15-17(3)22-14-18(24)4-9-23(22)26/h4-9,14-16,19H,10-13H2,1-3H3
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 5.60n/a 2.20n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111597
PNG
(US8623903, I-1)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2ccccc12
Show InChI InChI=1S/C23H28N2O3S/c1-17(2)28-20-8-10-21(11-9-20)29(26,27)24-14-12-19(13-15-24)25-16-18(3)22-6-4-5-7-23(22)25/h4-11,16-17,19H,12-15H2,1-3H3
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 7.70n/a 4.70n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111598
PNG
(US8623903, I-5)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H27ClN2O3S/c1-16(2)29-20-5-7-21(8-6-20)30(27,28)25-12-10-19(11-13-25)26-15-17(3)22-14-18(24)4-9-23(22)26/h4-9,14-16,19H,10-13H2,1-3H3
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 22n/a 4.10n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111607
PNG
(US8623903, I-16)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(CC(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O5S/c1-16(2)32-20-4-6-21(7-5-20)33(30,31)26-11-9-19(10-12-26)27-15-17(13-24(28)29)22-8-3-18(25)14-23(22)27/h3-8,14-16,19H,9-13H2,1-2H3,(H,28,29)
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n/an/a 1.30n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111600
PNG
(US8623903, I-7)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1cc(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H25ClN2O3S/c1-15(2)28-19-5-7-20(8-6-19)29(26,27)24-11-10-18(14-24)25-13-16(3)21-12-17(23)4-9-22(21)25/h4-9,12-13,15,18H,10-11,14H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111602
PNG
(US8623903, I-9)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H27ClN2O3S/c1-16(2)29-20-5-7-21(8-6-20)30(27,28)25-12-10-19(11-13-25)26-15-17(3)22-9-4-18(24)14-23(22)26/h4-9,14-16,19H,10-13H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111609
PNG
(US8623903, I-21)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@@H](C1)n1nc(CC(O)=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C22H24ClN3O5S/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)25-10-9-16(13-25)26-21-8-3-15(23)11-19(21)20(24-26)12-22(27)28/h3-8,11,14,16H,9-10,12-13H2,1-2H3,(H,27,28)/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111608
PNG
(US8623903, I-20)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)n1cc(CC(O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C23H26N2O5S/c1-16(2)30-19-7-9-20(10-8-19)31(28,29)24-12-11-18(15-24)25-14-17(13-23(26)27)21-5-3-4-6-22(21)25/h3-10,14,16,18H,11-13,15H2,1-2H3,(H,26,27)/t18-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111599
PNG
(US8623903, I-6)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H25ClN2O3S/c1-3-28-19-5-7-20(8-6-19)29(26,27)24-12-10-18(11-13-24)25-15-16(2)21-14-17(23)4-9-22(21)25/h4-9,14-15,18H,3,10-13H2,1-2H3
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n/an/a 4.80n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111604
PNG
(US8623903, I-11)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1cc(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H25ClN2O3S/c1-15(2)28-19-5-7-20(8-6-19)29(26,27)24-11-10-18(14-24)25-13-16(3)21-9-4-17(23)12-22(21)25/h4-9,12-13,15,18H,10-11,14H2,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111601
PNG
(US8623903, I-8)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1cc(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H23ClN2O3S/c1-3-27-18-5-7-19(8-6-18)28(25,26)23-11-10-17(14-23)24-13-15(2)20-12-16(22)4-9-21(20)24/h4-9,12-13,17H,3,10-11,14H2,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111605
PNG
(US8623903, I-12)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1cc(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN2O3S/c1-3-27-18-5-7-19(8-6-18)28(25,26)23-11-10-17(14-23)24-13-15(2)20-9-4-16(22)12-21(20)24/h4-9,12-13,17H,3,10-11,14H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111603
PNG
(US8623903, I-10)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cc(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H25ClN2O3S/c1-3-28-19-5-7-20(8-6-19)29(26,27)24-12-10-18(11-13-24)25-15-16(2)21-9-4-17(23)14-22(21)25/h4-9,14-15,18H,3,10-13H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM111613
PNG
(US8623903, I-32)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)n1cc(C(O)=O)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C22H23ClN2O5S/c1-14(2)30-17-4-6-18(7-5-17)31(28,29)24-10-9-16(12-24)25-13-20(22(26)27)19-8-3-15(23)11-21(19)25/h3-8,11,13-14,16H,9-10,12H2,1-2H3,(H,26,27)/t16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to ...

US Patent US8623903 (2014)


BindingDB Entry DOI: 10.7270/Q2KP80TK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%