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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50033381   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344162
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopentanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H29FN2O3/c1-29(26(33)27(14-4-5-15-27)18-8-10-19(28)11-9-18)20-12-13-24-22(16-25(31)32)21-6-2-3-7-23(21)30(24)17-20/h2-3,6-11,20H,4-5,12-17H2,1H3,(H,31,32)/t20-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344185
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopropanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN2O3/c1-27(24(31)25(12-13-25)16-6-8-17(26)9-7-16)18-10-11-22-20(14-23(29)30)19-4-2-3-5-21(19)28(22)15-18/h2-9,18H,10-15H2,1H3,(H,29,30)/t18-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344184
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H27FN2O3/c1-25(2,16-8-10-17(26)11-9-16)24(31)27(3)18-12-13-22-20(14-23(29)30)19-6-4-5-7-21(19)28(22)15-18/h4-11,18H,12-15H2,1-3H3,(H,29,30)/t18-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344161
PNG
(2-((R)-7-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344186
PNG
((R)-2-(7-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H29FN2O4/c1-29(26(33)27(12-14-34-15-13-27)18-6-8-19(28)9-7-18)20-10-11-24-22(16-25(31)32)21-4-2-3-5-23(21)30(24)17-20/h2-9,20H,10-17H2,1H3,(H,31,32)/t20-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344163
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N-methylacetamido)-6,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H23FN2O3/c1-25(22(27)12-15-6-8-16(24)9-7-15)17-10-11-21-19(13-23(28)29)18-4-2-3-5-20(18)26(21)14-17/h2-9,17H,10-14H2,1H3,(H,28,29)/t17-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344180
PNG
((R)-2-(7-(2-(4-methoxyphenyl)-N-methylacetamido)-6...)
Show SMILES COc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(O)=O)c4ccccc4n3C2)cc1 |r|
Show InChI InChI=1S/C24H26N2O4/c1-25(23(27)13-16-7-10-18(30-2)11-8-16)17-9-12-22-20(14-24(28)29)19-5-3-4-6-21(19)26(22)15-17/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,28,29)/t17-/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344168
PNG
((R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344178
PNG
((R)-2-(7-(2-(3,4-difluorophenyl)-N-methylacetamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H22F2N2O3/c1-26(22(28)11-14-6-8-18(24)19(25)10-14)15-7-9-21-17(12-23(29)30)16-4-2-3-5-20(16)27(21)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,29,30)/t15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344176
PNG
((R)-2-(7-(2-(3-chloro-4-fluorophenyl)-N-methylacet...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClFN2O3/c1-26(22(28)11-14-6-8-19(25)18(24)10-14)15-7-9-21-17(12-23(29)30)16-4-2-3-5-20(16)27(21)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,29,30)/t15-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344179
PNG
((R)-2-(7-(2-(4-chlorophenyl)-N-methylacetamido)-6,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClN2O3/c1-25(22(27)12-15-6-8-16(24)9-7-15)17-10-11-21-19(13-23(28)29)18-4-2-3-5-20(18)26(21)14-17/h2-9,17H,10-14H2,1H3,(H,28,29)/t17-/m1/s1
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31n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344183
PNG
(2-((R)-7-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18+/m0/s1
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39n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344175
PNG
((R)-2-(7-(2-(2,4-difluorophenyl)-N-methylacetamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1F |r|
Show InChI InChI=1S/C23H22F2N2O3/c1-26(22(28)10-14-6-7-15(24)11-19(14)25)16-8-9-21-18(12-23(29)30)17-4-2-3-5-20(17)27(21)13-16/h2-7,11,16H,8-10,12-13H2,1H3,(H,29,30)/t16-/m1/s1
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70n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344170
PNG
(2-((7R)-7-(N-methyl-1,2,3,4-tetrahydronaphthalene-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-5,7,9-10,12,18,21H,6,8,11,13-16H2,1H3,(H,29,30)/t18-,21?/m1/s1
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110n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344166
PNG
((R)-2-(7-(N-methyl-1-naphthamido)-6,7,8,9-tetrahyd...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H24N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-12,18H,13-16H2,1H3,(H,29,30)/t18-/m1/s1
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120n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344177
PNG
((R)-2-(7-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-N...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F4N2O3/c1-29(22(31)11-14-6-8-19(25)18(10-14)24(26,27)28)15-7-9-21-17(12-23(32)33)16-4-2-3-5-20(16)30(21)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,32,33)/t15-/m1/s1
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126n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344174
PNG
((R)-2-(7-(2-(4-fluoro-2-(trifluoromethyl)phenyl)-N...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1C(F)(F)F |r|
Show InChI InChI=1S/C24H22F4N2O3/c1-29(22(31)10-14-6-7-15(25)11-19(14)24(26,27)28)16-8-9-21-18(12-23(32)33)17-4-2-3-5-20(17)30(21)13-16/h2-7,11,16H,8-10,12-13H2,1H3,(H,32,33)/t16-/m1/s1
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141n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344173
PNG
((R)-2-(7-(2-(2-chloro-4-fluorophenyl)-N-methylacet...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C23H22ClFN2O3/c1-26(22(28)10-14-6-7-15(25)11-19(14)24)16-8-9-21-18(12-23(29)30)17-4-2-3-5-20(17)27(21)13-16/h2-7,11,16H,8-10,12-13H2,1H3,(H,29,30)/t16-/m1/s1
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184n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344172
PNG
((R)-2-(7-(N-methylcyclopentanecarboxamido)-6,7,8,9...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C21H26N2O3/c1-22(21(26)14-6-2-3-7-14)15-10-11-19-17(12-20(24)25)16-8-4-5-9-18(16)23(19)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,24,25)/t15-/m1/s1
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240n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344165
PNG
((R)-2-(7-(4-fluoro-N-methylbenzamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21FN2O3/c1-24(22(28)14-6-8-15(23)9-7-14)16-10-11-20-18(12-21(26)27)17-4-2-3-5-19(17)25(20)13-16/h2-9,16H,10-13H2,1H3,(H,26,27)/t16-/m1/s1
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340n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344167
PNG
((R)-2-(7-(N-methyl-2-naphthamido)-6,7,8,9-tetrahyd...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H24N2O3/c1-27(26(31)19-11-10-17-6-2-3-7-18(17)14-19)20-12-13-24-22(15-25(29)30)21-8-4-5-9-23(21)28(24)16-20/h2-11,14,20H,12-13,15-16H2,1H3,(H,29,30)/t20-/m1/s1
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370n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344181
PNG
((R)-2-(7-(N-methyl-2-(4-(trifluoromethyl)phenyl)ac...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F3N2O3/c1-28(22(30)12-15-6-8-16(9-7-15)24(25,26)27)17-10-11-21-19(13-23(31)32)18-4-2-3-5-20(18)29(21)14-17/h2-9,17H,10-14H2,1H3,(H,31,32)/t17-/m1/s1
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408n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344169
PNG
(2-((7R)-7-(N-methyl-2,3-dihydro-1H-indene-1-carbox...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCc2ccccc12 |r|
Show InChI InChI=1S/C25H26N2O3/c1-26(25(30)20-12-10-16-6-2-3-7-18(16)20)17-11-13-23-21(14-24(28)29)19-8-4-5-9-22(19)27(23)15-17/h2-9,17,20H,10-15H2,1H3,(H,28,29)/t17-,20?/m1/s1
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670n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50344168
PNG
((R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human prostanoid DP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50344168
PNG
((R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human prostanoid TP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50344163
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N-methylacetamido)-6,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H23FN2O3/c1-25(22(27)12-15-6-8-16(24)9-7-15)17-10-11-21-19(13-23(28)29)18-4-2-3-5-20(18)26(21)14-17/h2-9,17H,10-14H2,1H3,(H,28,29)/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human prostanoid TP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50344163
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N-methylacetamido)-6,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H23FN2O3/c1-25(22(27)12-15-6-8-16(24)9-7-15)17-10-11-21-19(13-23(28)29)18-4-2-3-5-20(18)26(21)14-17/h2-9,17H,10-14H2,1H3,(H,28,29)/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human prostanoid DP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344182
PNG
((R)-2-(7-(2-(4-(dimethylamino)phenyl)-N-methylacet...)
Show SMILES CN(C)c1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(O)=O)c4ccccc4n3C2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3/c1-26(2)18-10-8-17(9-11-18)14-24(29)27(3)19-12-13-23-21(15-25(30)31)20-6-4-5-7-22(20)28(23)16-19/h4-11,19H,12-16H2,1-3H3,(H,30,31)/t19-/m1/s1
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1.22E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344171
PNG
(2-((7R)-7-(N-methyl-1,2-dihydrocyclobutabenzene-1-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1Cc2ccccc12 |r|
Show InChI InChI=1S/C24H24N2O3/c1-25(24(29)20-12-15-6-2-3-7-17(15)20)16-10-11-22-19(13-23(27)28)18-8-4-5-9-21(18)26(22)14-16/h2-9,16,20H,10-14H2,1H3,(H,27,28)/t16-,20?/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344185
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopropanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN2O3/c1-27(24(31)25(12-13-25)16-6-8-17(26)9-7-16)18-10-11-22-20(14-23(29)30)19-4-2-3-5-21(19)28(22)15-18/h2-9,18H,10-15H2,1H3,(H,29,30)/t18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344161
PNG
(2-((R)-7-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/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



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344162
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopentanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H29FN2O3/c1-29(26(33)27(14-4-5-15-27)18-8-10-19(28)11-9-18)20-12-13-24-22(16-25(31)32)21-6-2-3-7-23(21)30(24)17-20/h2-3,6-11,20H,4-5,12-17H2,1H3,(H,31,32)/t20-/m1/s1
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Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344184
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H27FN2O3/c1-25(2,16-8-10-17(26)11-9-16)24(31)27(3)18-12-13-22-20(14-23(29)30)19-6-4-5-7-21(19)28(22)15-18/h4-11,18H,12-15H2,1-3H3,(H,29,30)/t18-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344186
PNG
((R)-2-(7-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H29FN2O4/c1-29(26(33)27(12-14-34-15-13-27)18-6-8-19(28)9-7-18)20-10-11-24-22(16-25(31)32)21-4-2-3-5-23(21)30(24)17-20/h2-9,20H,10-17H2,1H3,(H,31,32)/t20-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344163
PNG
((R)-2-(7-(2-(4-fluorophenyl)-N-methylacetamido)-6,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H23FN2O3/c1-25(22(27)12-15-6-8-16(24)9-7-15)17-10-11-21-19(13-23(28)29)18-4-2-3-5-20(18)26(21)14-17/h2-9,17H,10-14H2,1H3,(H,28,29)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344168
PNG
((R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344183
PNG
(2-((R)-7-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344170
PNG
(2-((7R)-7-(N-methyl-1,2,3,4-tetrahydronaphthalene-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-5,7,9-10,12,18,21H,6,8,11,13-16H2,1H3,(H,29,30)/t18-,21?/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344166
PNG
((R)-2-(7-(N-methyl-1-naphthamido)-6,7,8,9-tetrahyd...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H24N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-12,18H,13-16H2,1H3,(H,29,30)/t18-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344172
PNG
((R)-2-(7-(N-methylcyclopentanecarboxamido)-6,7,8,9...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C21H26N2O3/c1-22(21(26)14-6-2-3-7-14)15-10-11-19-17(12-20(24)25)16-8-4-5-9-18(16)23(19)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,24,25)/t15-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344169
PNG
(2-((7R)-7-(N-methyl-2,3-dihydro-1H-indene-1-carbox...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCc2ccccc12 |r|
Show InChI InChI=1S/C25H26N2O3/c1-26(25(30)20-12-10-16-6-2-3-7-18(16)20)17-11-13-23-21(14-24(28)29)19-8-4-5-9-22(19)27(23)15-17/h2-9,17,20H,10-15H2,1H3,(H,28,29)/t17-,20?/m1/s1
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n/an/a 810n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344167
PNG
((R)-2-(7-(N-methyl-2-naphthamido)-6,7,8,9-tetrahyd...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H24N2O3/c1-27(26(31)19-11-10-17-6-2-3-7-18(17)14-19)20-12-13-24-22(15-25(29)30)21-8-4-5-9-23(21)28(24)16-20/h2-11,14,20H,12-13,15-16H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344165
PNG
((R)-2-(7-(4-fluoro-N-methylbenzamido)-6,7,8,9-tetr...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21FN2O3/c1-24(22(28)14-6-8-15(23)9-7-14)16-10-11-20-18(12-21(26)27)17-4-2-3-5-19(17)25(20)13-16/h2-9,16H,10-13H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344171
PNG
(2-((7R)-7-(N-methyl-1,2-dihydrocyclobutabenzene-1-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1Cc2ccccc12 |r|
Show InChI InChI=1S/C24H24N2O3/c1-25(24(29)20-12-15-6-2-3-7-17(15)20)16-10-11-22-19(13-23(27)28)18-8-4-5-9-21(18)26(22)14-16/h2-9,16,20H,10-14H2,1H3,(H,27,28)/t16-,20?/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
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