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Patent code US9000044

Compile Data Set for Download or QSAR
Found 67 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))		BDBM155041
PNG
(US9000044, 60)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H18F7NO4S/c1-14-17(9-24(36)37)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)35-40(38,39)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13,35H,9H2,1H3,(H,36,37)
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n/an/a 0.100n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154982
PNG
(US9000044, 1)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155032
PNG
(US9000044, 51)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H22FNO4S/c1-17-21(14-25(29)30)13-20-7-10-22(27)15-24(20)26(17)19-8-11-23(12-9-19)33(31,32)28-16-18-5-3-2-4-6-18/h2-13,15,28H,14,16H2,1H3,(H,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155016
PNG
(US9000044, 35)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C23H24ClNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154983
PNG
(US9000044, 2)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C25H18ClFO4S/c1-15-18(13-24(28)29)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)32(30,31)23-5-3-2-4-22(23)26/h2-12,14H,13H2,1H3,(H,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155008
PNG
(US9000044, 27)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H17ClF2O4S/c1-14-17(9-24(29)30)8-16-2-5-18(26)10-23(16)25(14)15-3-6-21(7-4-15)33(31,32)22-12-19(27)11-20(28)13-22/h2-8,10-13H,9H2,1H3,(H,29,30)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155027
PNG
(US9000044, 46)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C23H22FNO4S/c1-15-18(13-22(26)27)12-17-4-7-19(24)14-21(17)23(15)16-5-8-20(9-6-16)30(28,29)25-10-2-3-11-25/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155014
PNG
(US9000044, 33)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C23H22ClNO4S/c1-15-18(13-22(26)27)12-17-4-7-19(24)14-21(17)23(15)16-5-8-20(9-6-16)30(28,29)25-10-2-3-11-25/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155025
PNG
(US9000044, 44)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21ClFNO4S/c1-15-19(13-25(30)31)12-18-6-9-20(28)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(27)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155015
PNG
(US9000044, 34)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H24ClNO4S/c1-16-19(14-23(27)28)13-18-5-8-20(25)15-22(18)24(16)17-6-9-21(10-7-17)31(29,30)26-11-3-2-4-12-26/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155023
PNG
(US9000044, 42)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
Show InChI InChI=1S/C26H22FNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154987
PNG
(US9000044, 6)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C26H18F4O5S/c1-15-18(13-24(31)32)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)36(33,34)23-5-3-2-4-22(23)35-26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155009
PNG
(US9000044, 28)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C25H19ClFNO4S/c1-15-18(13-24(29)30)12-17-2-5-19(26)14-23(17)25(15)16-3-10-22(11-4-16)33(31,32)28-21-8-6-20(27)7-9-21/h2-12,14,28H,13H2,1H3,(H,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154991
PNG
(US9000044, 10)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C25H17F3O4S/c1-14-17(11-24(29)30)10-16-2-5-18(26)12-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-9-6-19(27)13-22(23)28/h2-10,12-13H,11H2,1H3,(H,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154992
PNG
(US9000044, 11)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C25H17F3O4S/c1-14-17(12-23(29)30)11-16-5-8-18(26)13-20(16)24(14)15-6-9-19(10-7-15)33(31,32)25-21(27)3-2-4-22(25)28/h2-11,13H,12H2,1H3,(H,29,30)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155034
PNG
(US9000044, 53)
Show SMILES COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
Show InChI InChI=1S/C30H30FNO5S/c1-19(2)32(18-21-5-11-26(37-4)12-6-21)38(35,36)27-13-8-22(9-14-27)30-20(3)24(16-29(33)34)15-23-7-10-25(31)17-28(23)30/h5-15,17,19H,16,18H2,1-4H3,(H,33,34)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154986
PNG
(US9000044, 5)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H18F4O4S/c1-15-18(13-24(31)32)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)35(33,34)23-5-3-2-4-22(23)26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155018
PNG
(US9000044, 37)
Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C22H22ClNO4S/c1-13(2)24-29(27,28)19-8-5-15(6-9-19)22-14(3)17(11-21(25)26)10-16-4-7-18(23)12-20(16)22/h4-10,12-13,24H,11H2,1-3H3,(H,25,26)
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155026
PNG
(US9000044, 45)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C25H19ClFNO4S/c1-15-18(12-24(29)30)11-17-5-8-20(27)14-23(17)25(15)16-6-9-22(10-7-16)33(31,32)28-21-4-2-3-19(26)13-21/h2-11,13-14,28H,12H2,1H3,(H,29,30)
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155030
PNG
(US9000044, 49)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C25H26FNO4S/c1-16-19(14-24(28)29)13-18-7-10-20(26)15-23(18)25(16)17-8-11-22(12-9-17)32(30,31)27-21-5-3-2-4-6-21/h7-13,15,21,27H,2-6,14H2,1H3,(H,28,29)
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154995
PNG
(US9000044, 14)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H17F3O4S/c1-14-17(9-24(29)30)8-16-2-5-18(26)13-23(16)25(14)15-3-6-21(7-4-15)33(31,32)22-11-19(27)10-20(28)12-22/h2-8,10-13H,9H2,1H3,(H,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155019
PNG
(US9000044, 38)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H22ClNO4S/c1-17-21(14-25(29)30)13-20-7-10-22(27)15-24(20)26(17)19-8-11-23(12-9-19)33(31,32)28-16-18-5-3-2-4-6-18/h2-13,15,28H,14,16H2,1H3,(H,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155031
PNG
(US9000044, 50)
Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C22H22FNO4S/c1-13(2)24-29(27,28)19-8-5-15(6-9-19)22-14(3)17(11-21(25)26)10-16-4-7-18(23)12-20(16)22/h4-10,12-13,24H,11H2,1-3H3,(H,25,26)
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n/an/a 1.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155029
PNG
(US9000044, 48)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C23H24FNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154999
PNG
(US9000044, 18)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF3O4S/c1-15-18(13-24(31)32)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)35(33,34)23-5-3-2-4-22(23)26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155004
PNG
(US9000044, 23)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C25H17ClF2O4S/c1-14-17(11-24(29)30)10-16-2-5-18(26)12-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-9-6-19(27)13-22(23)28/h2-10,12-13H,11H2,1H3,(H,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155036
PNG
(US9000044, 55)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H22ClNO5S/c1-15-18(13-22(26)27)12-17-2-5-19(24)14-21(17)23(15)16-3-6-20(7-4-16)31(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155010
PNG
(US9000044, 29)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C26H22ClNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154982
PNG
(US9000044, 1)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
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n/an/a 2.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155021
PNG
(US9000044, 40)
Show SMILES COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C30H30ClNO5S/c1-19(2)32(18-21-5-11-26(37-4)12-6-21)38(35,36)27-13-8-22(9-14-27)30-20(3)24(16-29(33)34)15-23-7-10-25(31)17-28(23)30/h5-15,17,19H,16,18H2,1-4H3,(H,33,34)
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n/an/a 3.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154985
PNG
(US9000044, 4)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClFO4S/c1-15-18(13-24(28)29)12-17-2-7-20(27)14-23(17)25(15)16-3-8-21(9-4-16)32(30,31)22-10-5-19(26)6-11-22/h2-12,14H,13H2,1H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155040
PNG
(US9000044, 59 | US9000044, 61)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H20FNO4S/c1-16-19(14-24(28)29)13-18-7-10-20(26)15-23(18)25(16)17-8-11-21(12-9-17)27-32(30,31)22-5-3-2-4-6-22/h2-13,15,27H,14H2,1H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155033
PNG
(US9000044, 52)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
Show InChI InChI=1S/C27H24FNO5S/c1-17-21(14-26(30)31)13-20-5-8-22(28)15-25(20)27(17)19-6-11-24(12-7-19)35(32,33)29-16-18-3-9-23(34-2)10-4-18/h3-13,15,29H,14,16H2,1-2H3,(H,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154990
PNG
(US9000044, 9)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C25H17Cl2FO4S/c1-14-17(11-24(29)30)10-16-2-6-19(28)13-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-12-18(26)5-9-22(23)27/h2-10,12-13H,11H2,1H3,(H,29,30)
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n/an/a 3.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155040
PNG
(US9000044, 59 | US9000044, 61)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H20FNO4S/c1-16-19(14-24(28)29)13-18-7-10-20(26)15-23(18)25(16)17-8-11-21(12-9-17)27-32(30,31)22-5-3-2-4-6-22/h2-13,15,27H,14H2,1H3,(H,28,29)
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n/an/a 3.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154984
PNG
(US9000044, 3)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H18ClFO4S/c1-15-18(12-24(28)29)11-17-5-8-20(27)14-23(17)25(15)16-6-9-21(10-7-16)32(30,31)22-4-2-3-19(26)13-22/h2-11,13-14H,12H2,1H3,(H,28,29)
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n/an/a 3.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155028
PNG
(US9000044, 47)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H24FNO4S/c1-16-19(14-23(27)28)13-18-5-8-20(25)15-22(18)24(16)17-6-9-21(10-7-17)31(29,30)26-11-3-2-4-12-26/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,27,28)
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n/an/a 4.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155003
PNG
(US9000044, 22)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C25H17Cl3O4S/c1-14-17(11-24(29)30)10-16-2-5-18(26)12-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-13-19(27)6-9-22(23)28/h2-10,12-13H,11H2,1H3,(H,29,30)
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n/an/a 4.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155013
PNG
(US9000044, 32)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C25H19Cl2NO4S/c1-15-18(12-24(29)30)11-17-5-8-20(27)14-23(17)25(15)16-6-9-22(10-7-16)33(31,32)28-21-4-2-3-19(26)13-21/h2-11,13-14,28H,12H2,1H3,(H,29,30)
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n/an/a 4.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154994
PNG
(US9000044, 13)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H17Cl2FO4S/c1-14-17(9-24(29)30)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)33(31,32)22-11-18(26)10-19(27)12-22/h2-8,10-13H,9H2,1H3,(H,29,30)
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n/an/a 5.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155041
PNG
(US9000044, 60)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H18F7NO4S/c1-14-17(9-24(36)37)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)35-40(38,39)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13,35H,9H2,1H3,(H,36,37)
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n/an/a 5.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155037
PNG
(US9000044, 56)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C21H20ClNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26)
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n/an/a 5.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155038
PNG
(US9000044, 57)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C21H20FNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26)
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n/an/a 6.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155017
PNG
(US9000044, 36)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C25H26ClNO4S/c1-16-19(14-24(28)29)13-18-7-10-20(26)15-23(18)25(16)17-8-11-22(12-9-17)32(30,31)27-21-5-3-2-4-6-21/h7-13,15,21,27H,2-6,14H2,1H3,(H,28,29)
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n/an/a 6.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155046
PNG
(US9000044, 65)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H20ClNO3/c1-16-20(14-24(29)30)13-19-7-10-21(27)15-23(19)25(16)17-8-11-22(12-9-17)28-26(31)18-5-3-2-4-6-18/h2-13,15H,14H2,1H3,(H,28,31)(H,29,30)
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n/an/a 6.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155012
PNG
(US9000044, 31)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C26H21Cl2NO4S/c1-15-19(13-25(30)31)12-18-6-9-20(27)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(28)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31)
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n/an/a 6.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154998
PNG
(US9000044, 17)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl2O4S/c1-15-18(13-24(28)29)12-17-2-5-20(27)14-23(17)25(15)16-3-8-21(9-4-16)32(30,31)22-10-6-19(26)7-11-22/h2-12,14H,13H2,1H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154996
PNG
(US9000044, 15 | US9000044, 16)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H18Cl2O4S/c1-15-18(12-24(28)29)11-17-5-8-20(27)14-23(17)25(15)16-6-9-21(10-7-16)32(30,31)22-4-2-3-19(26)13-22/h2-11,13-14H,12H2,1H3,(H,28,29)
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n/an/a 8.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155044
PNG
(US9000044, 63)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C26H22ClNO4S/c1-16-5-3-4-6-24(16)33(31,32)28-22-11-8-18(9-12-22)26-17(2)20(14-25(29)30)13-19-7-10-21(27)15-23(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
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n/an/a 8.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155043
PNG
(US9000044, 62)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C26H19ClF3NO4S/c1-15-18(13-24(32)33)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)31-36(34,35)23-5-3-2-4-22(23)26(28,29)30/h2-12,14,31H,13H2,1H3,(H,32,33)
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n/an/a 8.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154989
PNG
(US9000044, 8)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H17Cl2FO4S/c1-14-17(11-24(29)30)10-16-2-6-19(28)13-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-9-5-18(26)12-22(23)27/h2-10,12-13H,11H2,1H3,(H,29,30)
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n/an/a 9.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154996
PNG
(US9000044, 15 | US9000044, 16)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H18Cl2O4S/c1-15-18(12-24(28)29)11-17-5-8-20(27)14-23(17)25(15)16-6-9-21(10-7-16)32(30,31)22-4-2-3-19(26)13-22/h2-11,13-14H,12H2,1H3,(H,28,29)
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n/an/a 9.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155001
PNG
(US9000044, 20)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H18ClF3O5S/c1-15-18(13-24(31)32)12-17-2-5-19(27)14-23(17)25(15)16-3-8-21(9-4-16)36(33,34)22-10-6-20(7-11-22)35-26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 12.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155020
PNG
(US9000044, 39)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C27H24ClNO5S/c1-17-21(14-26(30)31)13-20-5-8-22(28)15-25(20)27(17)19-6-11-24(12-7-19)35(32,33)29-16-18-3-9-23(34-2)10-4-18/h3-13,15,29H,14,16H2,1-2H3,(H,30,31)
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n/an/a 13.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154993
PNG
(US9000044, 12)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H17F7O4S/c1-14-17(9-24(35)36)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)39(37,38)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13H,9H2,1H3,(H,35,36)
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n/an/a 14n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM154988
PNG
(US9000044, 7)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H18F4O5S/c1-15-18(13-24(31)32)12-17-2-5-19(27)14-23(17)25(15)16-3-8-21(9-4-16)36(33,34)22-10-6-20(7-11-22)35-26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 15.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155047
PNG
(US9000044, 66)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-16-19(14-24(30)31)13-18-7-10-20(27)15-23(18)25(16)17-8-11-22(12-9-17)29-26(32)28-21-5-3-2-4-6-21/h2-13,15H,14H2,1H3,(H,30,31)(H2,28,29,32)
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155000
PNG
(US9000044, 19)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C26H18ClF3O5S/c1-15-18(13-24(31)32)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)36(33,34)23-5-3-2-4-22(23)35-26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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n/an/a 19.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155007
PNG
(US9000044, 26)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H17Cl3O4S/c1-14-17(9-24(29)30)8-16-2-5-18(26)13-23(16)25(14)15-3-6-21(7-4-15)33(31,32)22-11-19(27)10-20(28)12-22/h2-8,10-13H,9H2,1H3,(H,29,30)
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n/an/a 22.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155035
PNG
(US9000044, 54)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17FO4S/c1-12-15(10-19(22)23)9-14-3-6-16(21)11-18(14)20(12)13-4-7-17(8-5-13)26(2,24)25/h3-9,11H,10H2,1-2H3,(H,22,23)
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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155045
PNG
(US9000044, 64)
Show SMILES CC(=O)Nc1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C21H18ClNO3/c1-12-16(10-20(25)26)9-15-3-6-17(22)11-19(15)21(12)14-4-7-18(8-5-14)23-13(2)24/h3-9,11H,10H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 29.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155011
PNG
(US9000044, 30)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H19ClF3NO5S/c1-15-18(13-24(32)33)12-17-2-5-19(27)14-23(17)25(15)16-3-10-22(11-4-16)37(34,35)31-20-6-8-21(9-7-20)36-26(28,29)30/h2-12,14,31H,13H2,1H3,(H,32,33)
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n/an/a 34.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155035
PNG
(US9000044, 54)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17FO4S/c1-12-15(10-19(22)23)9-14-3-6-16(21)11-18(14)20(12)13-4-7-17(8-5-13)26(2,24)25/h3-9,11H,10H2,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155006
PNG
(US9000044, 25)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H17ClF6O4S/c1-14-17(9-24(35)36)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)39(37,38)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13H,9H2,1H3,(H,35,36)
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n/an/a 44.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155039
PNG
(US9000044, 58)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C19H16FNO4S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)17-6-5-15(10-21-17)26(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
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n/an/a 139n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155005
PNG
(US9000044, 24)
Show SMILES Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C25H17ClF2O4S/c1-14-17(12-23(29)30)11-16-5-8-18(26)13-20(16)24(14)15-6-9-19(10-7-15)33(31,32)25-21(27)3-2-4-22(25)28/h2-11,13H,12H2,1H3,(H,29,30)
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n/an/a 312n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM155039
PNG
(US9000044, 58)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C19H16FNO4S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)17-6-5-15(10-21-17)26(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...

US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%