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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50015861   
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))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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0.510n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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540n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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6.10E+3n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced inositol phosphate formation at human chemoattractant receptor-homologous molecule expressed on TH2 cells


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of U-46,619-induced inositol phosphate accumulation at human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced inositol phosphate formation at human chemoattractant receptor-homologous molecule expressed on TH2 cells


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced inositol phosphate formation at human chemoattractant receptor-homologous molecule expressed on TH2 cells


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of U-46,619-induced inositol phosphate accumulation at human Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced inositol phosphate formation at human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161748
PNG
(CHEMBL194085 | [3-((R)-4-Fluoro-benzenesulfonylami...)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h1-6,8-9,14,22H,7,10-12H2,(H,24,25)/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50161747
PNG
(3-{(R)-3-[(4-Fluoro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CCC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-24(30(28,29)17-9-6-15(23)7-10-17)16-8-11-21-19(14-16)18-4-2-3-5-20(18)25(21)13-12-22(26)27/h2-7,9-10,16H,8,11-14H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced inositol phosphate formation at human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at Thromboxane A2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161745
PNG
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair