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PubMed code 21316222

Compile data set for download or QSAR
Found 27 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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338156
PNG
(2-(5-methyl-6-(4-(morpholinosulfonyl)benzyl)-6H-th...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H22N2O5S2/c1-14-18(12-19(23)24)17-6-11-28-20(17)22(14)13-15-2-4-16(5-3-15)29(25,26)21-7-9-27-10-8-21/h2-6,11H,7-10,12-13H2,1H3,(H,23,24)
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n/an/a 70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338152
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)phenylsulfonyl)-6...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO6S3/c1-10-14(9-15(18)19)13-7-8-24-16(13)17(10)26(22,23)12-5-3-11(4-6-12)25(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
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n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
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n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO/Ga16 cells co-expressing Galpha16 protein assessed as calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338155
PNG
(2-(6-(4-(N,N-dimethylsulfamoyl)benzyl)-5-methyl-6H...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C18H20N2O4S2/c1-12-16(10-17(21)22)15-8-9-25-18(15)20(12)11-13-4-6-14(7-5-13)26(23,24)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22)
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338153
PNG
(2-(5-methyl-6-(4-(morpholinosulfonyl)phenylsulfony...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S3/c1-13-17(12-18(22)23)16-6-11-29-19(16)21(13)31(26,27)15-4-2-14(3-5-15)30(24,25)20-7-9-28-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,22,23)
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n/an/a 230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338163
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-2,5-dimet...)
Show SMILES Cc1cc2c(CC(O)=O)c(C)n(Cc3ccc(cc3Cl)S(C)(=O)=O)c2s1
Show InChI InChI=1S/C18H18ClNO4S2/c1-10-6-15-14(8-17(21)22)11(2)20(18(15)25-10)9-12-4-5-13(7-16(12)19)26(3,23)24/h4-7H,8-9H2,1-3H3,(H,21,22)
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n/an/a 330n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338154
PNG
(2-(5-methyl-6-(4-(pyrrolidin-1-ylsulfonyl)phenylsu...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H20N2O6S3/c1-13-17(12-18(22)23)16-8-11-28-19(16)21(13)30(26,27)15-6-4-14(5-7-15)29(24,25)20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)
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n/an/a 390n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338150
PNG
(2-(5-methyl-6-(4-(trifluoromethyl)phenylsulfonyl)-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO4S2/c1-9-13(8-14(21)22)12-6-7-25-15(12)20(9)26(23,24)11-4-2-10(3-5-11)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338160
PNG
(2-(3,5-dimethyl-6-(4-(methylsulfonyl)phenylsulfony...)
Show SMILES Cc1csc2n(c(C)c(CC(O)=O)c12)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO6S3/c1-10-9-25-17-16(10)14(8-15(19)20)11(2)18(17)27(23,24)13-6-4-12(5-7-13)26(3,21)22/h4-7,9H,8H2,1-3H3,(H,19,20)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338161
PNG
(2-(3,5-dimethyl-6-(4-(methylsulfonyl)benzyl)-6H-th...)
Show SMILES Cc1csc2n(Cc3ccc(cc3)S(C)(=O)=O)c(C)c(CC(O)=O)c12
Show InChI InChI=1S/C18H19NO4S2/c1-11-10-24-18-17(11)15(8-16(20)21)12(2)19(18)9-13-4-6-14(7-5-13)25(3,22)23/h4-7,10H,8-9H2,1-3H3,(H,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338149
PNG
(2-(6-(4-fluorophenylsulfonyl)-5-methyl-6H-thieno[2...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4S2/c1-9-13(8-14(18)19)12-6-7-22-15(12)17(9)23(20,21)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,19)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338162
PNG
(2-(2,5-dimethyl-6-(4-(methylsulfonyl)benzyl)-6H-th...)
Show SMILES Cc1cc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2s1
Show InChI InChI=1S/C18H19NO4S2/c1-11-8-16-15(9-17(20)21)12(2)19(18(16)24-11)10-13-4-6-14(7-5-13)25(3,22)23/h4-8H,9-10H2,1-3H3,(H,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338148
PNG
(2-(5-methyl-6-(phenylsulfonyl)-6H-thieno[2,3-b]pyr...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO4S2/c1-10-13(9-14(17)18)12-7-8-21-15(12)16(10)22(19,20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338151
PNG
(2-(6-(4-cyanophenylsulfonyl)-5-methyl-6H-thieno[2,...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N2O4S2/c1-10-14(8-15(19)20)13-6-7-23-16(13)18(10)24(21,22)12-4-2-11(9-17)3-5-12/h2-7H,8H2,1H3,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338164
PNG
(2-(6-(4-(methylsulfonyl)phenylsulfonyl)-6H-thieno[...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)n1cc(CC(O)=O)c2ccsc12
Show InChI InChI=1S/C15H13NO6S3/c1-24(19,20)11-2-4-12(5-3-11)25(21,22)16-9-10(8-14(17)18)13-6-7-23-15(13)16/h2-7,9H,8H2,1H3,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338165
PNG
(2-(4-(4-(methylsulfonyl)phenylsulfonyl)-4H-thieno[...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)n1cc(CC(O)=O)c2sccc12
Show InChI InChI=1S/C15H13NO6S3/c1-24(19,20)11-2-4-12(5-3-11)25(21,22)16-9-10(8-14(17)18)15-13(16)6-7-23-15/h2-7,9H,8H2,1H3,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338152
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)phenylsulfonyl)-6...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO6S3/c1-10-14(9-15(18)19)13-7-8-24-16(13)17(10)26(22,23)12-5-3-11(4-6-12)25(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338152
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)phenylsulfonyl)-6...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO6S3/c1-10-14(9-15(18)19)13-7-8-24-16(13)17(10)26(22,23)12-5-3-11(4-6-12)25(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%