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PubMed code 21916510

Compile data set for download or QSAR
Found 167 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


(Mus musculus (mouse))
BDBM50356677
PNG
(CHEMBL1917592)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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PubMed
0.370n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse CRTH2 expressed in human HEK cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356751
PNG
(CHEMBL1917804)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(C)C(O)=O
Show InChI InChI=1S/C21H21ClO5S/c1-4-11-28(25,26)19-9-5-14(2)16(13-19)6-7-17-12-18(22)8-10-20(17)27-15(3)21(23)24/h5,8-10,12-13,15H,4,11H2,1-3H3,(H,23,24)
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PubMed
1.20n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356729
PNG
(CHEMBL1917782)
Show SMILES CCCS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(C)cc1NC(C)=O
Show InChI InChI=1S/C22H22ClNO6S/c1-4-9-31(28,29)21-12-16(14(2)10-19(21)24-15(3)25)5-6-17-11-18(23)7-8-20(17)30-13-22(26)27/h7-8,10-12H,4,9,13H2,1-3H3,(H,24,25)(H,26,27)
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1.30n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356693
PNG
(CHEMBL1917608)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-16-6-10-21(31(28,29)25-12-4-3-5-17(25)2)14-18(16)7-8-19-13-20(24)9-11-22(19)30-15-23(26)27/h6,9-11,13-14,17H,3-5,12,15H2,1-2H3,(H,26,27)
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1.90n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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2n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356679
PNG
(CHEMBL1917594)
Show SMILES CCCS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16Cl2O5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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2.10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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2.40n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse CRTH2 expressed in human HEK cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356680
PNG
(CHEMBL1917595)
Show SMILES CC(C)S(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16Cl2O5S/c1-12(2)27(24,25)16-6-7-17(21)13(10-16)3-4-14-9-15(20)5-8-18(14)26-11-19(22)23/h5-10,12H,11H2,1-2H3,(H,22,23)
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2.90n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356749
PNG
(CHEMBL1917802)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OC(C)C(O)=O
Show InChI InChI=1S/C20H18ClFO5S/c1-3-10-28(25,26)17-7-8-18(22)14(12-17)4-5-15-11-16(21)6-9-19(15)27-13(2)20(23)24/h6-9,11-13H,3,10H2,1-2H3,(H,23,24)
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3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356671
PNG
(CHEMBL1917586)
Show SMILES CC(C)CS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H21ClO5S/c1-14(2)13-28(25,26)19-8-4-15(3)16(11-19)5-6-17-10-18(22)7-9-20(17)27-12-21(23)24/h4,7-11,14H,12-13H2,1-3H3,(H,23,24)
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3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356683
PNG
(CHEMBL1917598)
Show SMILES CN(C)S(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H15ClFNO5S/c1-21(2)27(24,25)15-6-7-16(20)12(10-15)3-4-13-9-14(19)5-8-17(13)26-11-18(22)23/h5-10H,11H2,1-2H3,(H,22,23)
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3.10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356703
PNG
(CHEMBL1917618)
Show SMILES CS(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H13ClO4S/c1-23(21)15-4-2-3-12(9-15)5-6-13-10-14(18)7-8-16(13)22-11-17(19)20/h2-4,7-10H,11H2,1H3,(H,19,20)
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3.20n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356664
PNG
(CHEMBL1917579)
Show SMILES CS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12ClFO5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
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3.30n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356688
PNG
(CHEMBL1917603)
Show SMILES CC(C)NS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H20ClNO5S/c1-13(2)22-28(25,26)18-8-4-14(3)15(11-18)5-6-16-10-17(21)7-9-19(16)27-12-20(23)24/h4,7-11,13,22H,12H2,1-3H3,(H,23,24)
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3.40n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356684
PNG
(CHEMBL1917599)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO5S/c1-4-23(5-2)29(26,27)19-10-6-15(3)16(13-19)7-8-17-12-18(22)9-11-20(17)28-14-21(24)25/h6,9-13H,4-5,14H2,1-3H3,(H,24,25)
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3.40n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356677
PNG
(CHEMBL1917592)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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3.40n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356665
PNG
(CHEMBL1917580)
Show SMILES CS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12Cl2O5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356728
PNG
(CHEMBL1917781)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1ccccc1Cl)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H16Cl2O5S/c1-31(28,29)22-12-15(7-10-19(22)18-4-2-3-5-20(18)25)6-8-16-13-17(24)9-11-21(16)30-14-23(26)27/h2-5,7,9-13H,14H2,1H3,(H,26,27)
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3.5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356692
PNG
(CHEMBL1917607)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H20ClNO6S/c1-15-2-6-19(30(26,27)23-8-10-28-11-9-23)13-16(15)3-4-17-12-18(22)5-7-20(17)29-14-21(24)25/h2,5-7,12-13H,8-11,14H2,1H3,(H,24,25)
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3.60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356695
PNG
(CHEMBL1917610)
Show SMILES COCCNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H20ClNO6S/c1-14-3-7-18(29(25,26)22-9-10-27-2)12-15(14)4-5-16-11-17(21)6-8-19(16)28-13-20(23)24/h3,6-8,11-12,22H,9-10,13H2,1-2H3,(H,23,24)
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3.60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356689
PNG
(CHEMBL1917604)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO5S/c1-14(2)23(4)29(26,27)19-9-5-15(3)16(12-19)6-7-17-11-18(22)8-10-20(17)28-13-21(24)25/h5,8-12,14H,13H2,1-4H3,(H,24,25)
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3.80n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356678
PNG
(CHEMBL1917593)
Show SMILES CC(C)S(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-12(2)27(24,25)16-6-7-17(21)13(10-16)3-4-14-9-15(20)5-8-18(14)26-11-19(22)23/h5-10,12H,11H2,1-2H3,(H,22,23)
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4n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356694
PNG
(CHEMBL1917609)
Show SMILES COCCN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO6S/c1-15-4-8-19(30(26,27)23(2)10-11-28-3)13-16(15)5-6-17-12-18(22)7-9-20(17)29-14-21(24)25/h4,7-9,12-13H,10-11,14H2,1-3H3,(H,24,25)
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4.10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356690
PNG
(CHEMBL1917605)
Show SMILES CC(C)CN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H24ClNO5S/c1-15(2)13-24(4)30(27,28)20-9-5-16(3)17(12-20)6-7-18-11-19(23)8-10-21(18)29-14-22(25)26/h5,8-12,15H,13-14H2,1-4H3,(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356760
PNG
(CHEMBL1917408)
Show SMILES CCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H16ClNO3/c1-2-3-13-8-9-20-11-15(13)5-4-14-10-16(19)6-7-17(14)23-12-18(21)22/h6-11H,2-3,12H2,1H3,(H,21,22)
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4.30n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356687
PNG
(CHEMBL1917602)
Show SMILES CCNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H18ClNO5S/c1-3-21-27(24,25)17-8-4-13(2)14(11-17)5-6-15-10-16(20)7-9-18(15)26-12-19(22)23/h4,7-11,21H,3,12H2,1-2H3,(H,22,23)
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4.40n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356667
PNG
(CHEMBL1917582)
Show SMILES CC(C)c1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-13(2)18-8-7-17(27(3,24)25)11-14(18)4-5-15-10-16(21)6-9-19(15)26-12-20(22)23/h6-11,13H,12H2,1-3H3,(H,22,23)
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4.60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356761
PNG
(CHEMBL1917409)
Show SMILES CC(C)Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H18ClNO3/c1-13(2)9-14-7-8-21-11-16(14)4-3-15-10-17(20)5-6-18(15)24-12-19(22)23/h5-8,10-11,13H,9,12H2,1-2H3,(H,22,23)
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4.90n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356765
PNG
(CHEMBL1917810)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(OC)cn1)C(=O)C1CC1
Show InChI InChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356682
PNG
(CHEMBL1917597)
Show SMILES CN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H18ClNO5S/c1-13-4-8-17(27(24,25)21(2)3)11-14(13)5-6-15-10-16(20)7-9-18(15)26-12-19(22)23/h4,7-11H,12H2,1-3H3,(H,22,23)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356685
PNG
(CHEMBL1917600)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C21H22ClNO5S/c1-14-5-9-18(29(26,27)23-21(2,3)4)12-15(14)6-7-16-11-17(22)8-10-19(16)28-13-20(24)25/h5,8-12,23H,13H2,1-4H3,(H,24,25)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356663
PNG
(CHEMBL1917578)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClO5S/c1-12-3-7-16(25(2,22)23)10-13(12)4-5-14-9-15(19)6-8-17(14)24-11-18(20)21/h3,6-10H,11H2,1-2H3,(H,20,21)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356722
PNG
(CHEMBL1917636)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1ccccc1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H17ClO5S/c1-30(27,28)22-13-16(8-11-20(22)17-5-3-2-4-6-17)7-9-18-14-19(24)10-12-21(18)29-15-23(25)26/h2-6,8,10-14H,15H2,1H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356672
PNG
(CHEMBL1917587)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H19ClO5S/c1-17-7-11-22(31(28,29)16-18-5-3-2-4-6-18)14-19(17)8-9-20-13-21(25)10-12-23(20)30-15-24(26)27/h2-7,10-14H,15-16H2,1H3,(H,26,27)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356691
PNG
(CHEMBL1917606)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H22ClNO5S/c1-16-5-9-20(30(27,28)24-11-3-2-4-12-24)14-17(16)6-7-18-13-19(23)8-10-21(18)29-15-22(25)26/h5,8-10,13-14H,2-4,11-12,15H2,1H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356670
PNG
(CHEMBL1917585)
Show SMILES CC(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-13(2)27(24,25)18-8-4-14(3)15(11-18)5-6-16-10-17(21)7-9-19(16)26-12-20(22)23/h4,7-11,13H,12H2,1-3H3,(H,22,23)
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6n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356674
PNG
(CHEMBL1917589)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H17ClO5S/c1-16-7-11-21(30(27,28)20-5-3-2-4-6-20)14-17(16)8-9-18-13-19(24)10-12-22(18)29-15-23(25)26/h2-7,10-14H,15H2,1H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356723
PNG
(CHEMBL1917637)
Show SMILES COc1ccc(cc1)-c1ccc(cc1S(C)(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H19ClO6S/c1-30-20-9-6-17(7-10-20)21-11-4-16(13-23(21)32(2,28)29)3-5-18-14-19(25)8-12-22(18)31-15-24(26)27/h4,6-14H,15H2,1-2H3,(H,26,27)
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7n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356743
PNG
(CHEMBL1917796)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(ccc1OCC(O)=O)C#N
Show InChI InChI=1S/C21H19NO5S/c1-3-10-28(25,26)19-8-4-15(2)17(12-19)6-7-18-11-16(13-22)5-9-20(18)27-14-21(23)24/h4-5,8-9,11-12H,3,10,14H2,1-2H3,(H,23,24)
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7n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356673
PNG
(CHEMBL1917588)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C25H21ClO5S/c1-18-7-11-23(32(29,30)14-13-19-5-3-2-4-6-19)16-20(18)8-9-21-15-22(26)10-12-24(21)31-17-25(27)28/h2-7,10-12,15-16H,13-14,17H2,1H3,(H,27,28)
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7n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356724
PNG
(CHEMBL1917638)
Show SMILES COc1cccc(c1)-c1ccc(cc1S(C)(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H19ClO6S/c1-30-20-5-3-4-17(14-20)21-10-7-16(12-23(21)32(2,28)29)6-8-18-13-19(25)9-11-22(18)31-15-24(26)27/h3-5,7,9-14H,15H2,1-2H3,(H,26,27)
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8n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356676
PNG
(CHEMBL1917591)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)CCCO
Show InChI InChI=1S/C20H19ClO6S/c1-14-3-7-18(28(25,26)10-2-9-22)12-15(14)4-5-16-11-17(21)6-8-19(16)27-13-20(23)24/h3,6-8,11-12,22H,2,9-10,13H2,1H3,(H,23,24)
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8n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356668
PNG
(CHEMBL1917583)
Show SMILES CCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H17ClO5S/c1-3-26(23,24)17-8-4-13(2)14(11-17)5-6-15-10-16(20)7-9-18(15)25-12-19(21)22/h4,7-11H,3,12H2,1-2H3,(H,21,22)
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8.60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356666
PNG
(CHEMBL1917581)
Show SMILES CCCc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-4-14-7-9-18(27(2,24)25)12-15(14)5-6-16-11-17(21)8-10-19(16)26-13-20(22)23/h7-12H,3-4,13H2,1-2H3,(H,22,23)
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8.60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356755
PNG
(CHEMBL1917575)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H17ClO5S/c1-2-10-26(23,24)17-5-3-4-14(11-17)6-7-15-12-16(20)8-9-18(15)25-13-19(21)22/h3-5,8-9,11-12H,2,10,13H2,1H3,(H,21,22)
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9n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356686
PNG
(CHEMBL1917601)
Show SMILES CNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H16ClNO5S/c1-12-3-7-16(26(23,24)20-2)10-13(12)4-5-14-9-15(19)6-8-17(14)25-11-18(21)22/h3,6-10,20H,11H2,1-2H3,(H,21,22)
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10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356740
PNG
(CHEMBL1917793)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3O5S/c1-2-10-29(26,27)17-5-3-4-14(11-17)6-7-15-12-16(20(21,22)23)8-9-18(15)28-13-19(24)25/h3-5,8-9,11-12H,2,10,13H2,1H3,(H,24,25)
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10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356662
PNG
(CHEMBL1917577)
Show SMILES OCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H15ClO6S/c19-15-6-7-17(25-12-18(21)22)14(11-15)5-4-13-2-1-3-16(10-13)26(23,24)9-8-20/h1-3,6-7,10-11,20H,8-9,12H2,(H,21,22)
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10n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356739
PNG
(CHEMBL1917792)
Show SMILES OC(=O)COc1ccc(cc1C#Cc1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H10ClF3O3/c18-14-4-2-1-3-11(14)5-6-12-9-13(17(19,20)21)7-8-15(12)24-10-16(22)23/h1-4,7-9H,10H2,(H,22,23)
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12n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356744
PNG
(CHEMBL1917797)
Show SMILES CC(C)c1ccc(cc1C#Cc1cc(ccc1OCC(O)=O)C#N)S(C)(=O)=O
Show InChI InChI=1S/C21H19NO5S/c1-14(2)19-8-7-18(28(3,25)26)11-16(19)5-6-17-10-15(12-22)4-9-20(17)27-13-21(23)24/h4,7-11,14H,13H2,1-3H3,(H,23,24)
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12n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356748
PNG
(CHEMBL1917801)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1cccs1
Show InChI InChI=1S/C23H20O5S2/c1-2-14-30(26,27)18-7-3-6-17(15-18)11-12-19-20(22-10-5-13-29-22)8-4-9-21(19)28-16-23(24)25/h3-10,13,15H,2,14,16H2,1H3,(H,24,25)
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12n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356713
PNG
(CHEMBL1917628)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2-c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C22H13ClO5S/c23-16-8-10-19(28-13-22(24)25)15(12-16)7-5-14-6-9-18-17-3-1-2-4-20(17)29(26,27)21(18)11-14/h1-4,6,8-12H,13H2,(H,24,25)
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12n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356716
PNG
(CHEMBL1917631)
Show SMILES CC(C)(C)N1C(=O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H18ClNO6S/c1-21(2,3)23-20(26)16-8-5-13(10-18(16)30(23,27)28)4-6-14-11-15(22)7-9-17(14)29-12-19(24)25/h5,7-11H,12H2,1-3H3,(H,24,25)
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14n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356681
PNG
(CHEMBL1917596)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H16ClNO5S/c1-20(2)26(23,24)16-5-3-4-13(10-16)6-7-14-11-15(19)8-9-17(14)25-12-18(21)22/h3-5,8-11H,12H2,1-2H3,(H,21,22)
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14n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356726
PNG
(CHEMBL1917779)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1ccc(Cl)cc1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H16Cl2O5S/c1-31(28,29)22-12-15(3-10-20(22)16-5-7-18(24)8-6-16)2-4-17-13-19(25)9-11-21(17)30-14-23(26)27/h3,5-13H,14H2,1H3,(H,26,27)
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14n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356764
PNG
(CHEMBL1917412)
Show SMILES CS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H13ClO5S/c1-24(21,22)15-4-2-3-12(9-15)5-6-13-10-14(18)7-8-16(13)23-11-17(19)20/h2-4,7-10H,11H2,1H3,(H,19,20)
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15n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356727
PNG
(CHEMBL1917780)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1cccc(Cl)c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H16Cl2O5S/c1-31(28,29)22-11-15(6-9-20(22)16-3-2-4-18(24)12-16)5-7-17-13-19(25)8-10-21(17)30-14-23(26)27/h2-4,6,8-13H,14H2,1H3,(H,26,27)
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16n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356763
PNG
(CHEMBL1917411)
Show SMILES Cc1cc[n+]([O-])cc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H12ClNO4/c1-11-6-7-18(21)9-13(11)3-2-12-8-14(17)4-5-15(12)22-10-16(19)20/h4-9H,10H2,1H3,(H,19,20)
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17n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356747
PNG
(CHEMBL1917800)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1ccsc1
Show InChI InChI=1S/C23H20O5S2/c1-2-13-30(26,27)19-6-3-5-17(14-19)9-10-21-20(18-11-12-29-16-18)7-4-8-22(21)28-15-23(24)25/h3-8,11-12,14,16H,2,13,15H2,1H3,(H,24,25)
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18n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356745
PNG
(CHEMBL1917798)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1ccccc1
Show InChI InChI=1S/C25H22O5S/c1-2-16-31(28,29)21-11-6-8-19(17-21)14-15-23-22(20-9-4-3-5-10-20)12-7-13-24(23)30-18-25(26)27/h3-13,17H,2,16,18H2,1H3,(H,26,27)
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19n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356675
PNG
(CHEMBL1917590)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)CCO
Show InChI InChI=1S/C19H17ClO6S/c1-13-2-6-17(27(24,25)9-8-21)11-14(13)3-4-15-10-16(20)5-7-18(15)26-12-19(22)23/h2,5-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
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19n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356708
PNG
(CHEMBL1917623)
Show SMILES CS(=O)(=O)Nc1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H13ClN2O5S/c1-25(22,23)19-14-6-11(8-18-9-14)2-3-12-7-13(17)4-5-15(12)24-10-16(20)21/h4-9,19H,10H2,1H3,(H,20,21)
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19n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356742
PNG
(CHEMBL1917795)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(ccc1OCC(O)=O)C#N
Show InChI InChI=1S/C20H17NO5S/c1-2-10-27(24,25)18-5-3-4-15(12-18)6-8-17-11-16(13-21)7-9-19(17)26-14-20(22)23/h3-5,7,9,11-12H,2,10,14H2,1H3,(H,22,23)
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21n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356720
PNG
(CHEMBL1917634)
Show SMILES COC1c2ccc(cc2S(=O)(=O)C1(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H19ClO6S/c1-21(2)20(27-3)16-8-5-13(10-18(16)29(21,25)26)4-6-14-11-15(22)7-9-17(14)28-12-19(23)24/h5,7-11,20H,12H2,1-3H3,(H,23,24)
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21n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356696
PNG
(CHEMBL1917611)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H23ClN2O5S/c1-16-3-7-20(31(28,29)25-11-9-24(2)10-12-25)14-17(16)4-5-18-13-19(23)6-8-21(18)30-15-22(26)27/h3,6-8,13-14H,9-12,15H2,1-2H3,(H,26,27)
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21n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356659
PNG
(CHEMBL1917402)
Show SMILES COCc1ccc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(F)c1
Show InChI InChI=1S/C18H14ClFO4/c1-23-10-12-2-3-13(16(20)8-12)4-5-14-9-15(19)6-7-17(14)24-11-18(21)22/h2-3,6-9H,10-11H2,1H3,(H,21,22)
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22n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356715
PNG
(CHEMBL1917630)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C18H13ClO5S/c19-15-5-6-16(24-11-18(20)21)14(10-15)4-2-12-1-3-13-7-8-25(22,23)17(13)9-12/h1,3,5-6,9-10H,7-8,11H2,(H,20,21)
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23n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356650
PNG
(CHEMBL1917393)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H10ClF3O3/c18-13-7-8-15(24-10-16(22)23)12(9-13)6-5-11-3-1-2-4-14(11)17(19,20)21/h1-4,7-9H,10H2,(H,22,23)
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24n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356741
PNG
(CHEMBL1917794)
Show SMILES OC(=O)COc1ccc(cc1C#Cc1ccccc1Cl)C#N
Show InChI InChI=1S/C17H10ClNO3/c18-15-4-2-1-3-13(15)6-7-14-9-12(10-19)5-8-16(14)22-11-17(20)21/h1-5,8-9H,11H2,(H,20,21)
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24n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356759
PNG
(CHEMBL1917407)
Show SMILES Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H12ClNO3/c1-11-6-7-18-9-13(11)3-2-12-8-14(17)4-5-15(12)21-10-16(19)20/h4-9H,10H2,1H3,(H,19,20)
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25n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356714
PNG
(CHEMBL1917629)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2C=CS(=O)(=O)c2c1
Show InChI InChI=1S/C18H11ClO5S/c19-15-5-6-16(24-11-18(20)21)14(10-15)4-2-12-1-3-13-7-8-25(22,23)17(13)9-12/h1,3,5-10H,11H2,(H,20,21)
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25n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356721
PNG
(CHEMBL1917635)
Show SMILES COC1(C)c2ccc(cc2S(=O)(=O)C1(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H21ClO6S/c1-21(2)22(3,28-4)17-9-6-14(11-19(17)30(21,26)27)5-7-15-12-16(23)8-10-18(15)29-13-20(24)25/h6,8-12H,13H2,1-4H3,(H,24,25)
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25n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356645
PNG
(CHEMBL1917387)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccc1Cl
Show InChI InChI=1S/C16H10Cl2O3/c17-13-7-8-15(21-10-16(19)20)12(9-13)6-5-11-3-1-2-4-14(11)18/h1-4,7-9H,10H2,(H,19,20)
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28n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356656
PNG
(CHEMBL1917399)
Show SMILES OCc1ccc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(F)c1
Show InChI InChI=1S/C17H12ClFO4/c18-14-5-6-16(23-10-17(21)22)13(8-14)4-3-12-2-1-11(9-20)7-15(12)19/h1-2,5-8,20H,9-10H2,(H,21,22)
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28n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356719
PNG
(CHEMBL1917633)
Show SMILES CC1(C)C(C)(O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H19ClO6S/c1-20(2)21(3,25)16-8-5-13(10-18(16)29(20,26)27)4-6-14-11-15(22)7-9-17(14)28-12-19(23)24/h5,7-11,25H,12H2,1-3H3,(H,23,24)
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28n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356661
PNG
(CHEMBL1917576)
Show SMILES OCCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H17ClO6S/c20-16-7-8-18(26-13-19(22)23)15(12-16)6-5-14-3-1-4-17(11-14)27(24,25)10-2-9-21/h1,3-4,7-8,11-12,21H,2,9-10,13H2,(H,22,23)
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28n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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29n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356752
PNG
(CHEMBL1917805)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(CC)C(O)=O
Show InChI InChI=1S/C22H23ClO5S/c1-4-12-29(26,27)19-10-6-15(3)16(14-19)7-8-17-13-18(23)9-11-21(17)28-20(5-2)22(24)25/h6,9-11,13-14,20H,4-5,12H2,1-3H3,(H,24,25)
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30n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356717
PNG
(CHEMBL1914491)
Show SMILES CC1(C)C(=O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H15ClO6S/c1-20(2)19(24)15-7-4-12(9-17(15)28(20,25)26)3-5-13-10-14(21)6-8-16(13)27-11-18(22)23/h4,6-10H,11H2,1-2H3,(H,22,23)
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31n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356718
PNG
(CHEMBL1917632)
Show SMILES CC1(C)C(O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H17ClO6S/c1-20(2)19(24)15-7-4-12(9-17(15)28(20,25)26)3-5-13-10-14(21)6-8-16(13)27-11-18(22)23/h4,6-10,19,24H,11H2,1-2H3,(H,22,23)
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33n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356707
PNG
(CHEMBL1917622)
Show SMILES CN(C)S(=O)(=O)c1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H15ClN2O5S/c1-20(2)26(23,24)15-7-12(9-19-10-15)3-4-13-8-14(18)5-6-16(13)25-11-17(21)22/h5-10H,11H2,1-2H3,(H,21,22)
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37n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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37n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse CRTH2 expressed in human HEK cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356657
PNG
(CHEMBL1917400)
Show SMILES OCc1cccc(C#Cc2cc(Cl)ccc2OCC(O)=O)c1F
Show InChI InChI=1S/C17H12ClFO4/c18-14-6-7-15(23-10-16(21)22)12(8-14)5-4-11-2-1-3-13(9-20)17(11)19/h1-3,6-8,20H,9-10H2,(H,21,22)
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41n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356711
PNG
(CHEMBL1917626)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cncc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H17ClN2O6S/c20-16-3-4-18(28-13-19(23)24)15(10-16)2-1-14-9-17(12-21-11-14)29(25,26)22-5-7-27-8-6-22/h3-4,9-12H,5-8,13H2,(H,23,24)
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41n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356712
PNG
(CHEMBL1917627)
Show SMILES CN(C)S(=O)(=O)c1cnc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H17ClN2O5S/c1-12-13(9-16(10-20-12)27(24,25)21(2)3)4-5-14-8-15(19)6-7-17(14)26-11-18(22)23/h6-10H,11H2,1-3H3,(H,22,23)
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41n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356762
PNG
(CHEMBL1917410)
Show SMILES CCCCCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO3/c1-2-3-4-5-6-16-11-12-23-14-18(16)8-7-17-13-19(22)9-10-20(17)26-15-21(24)25/h9-14H,2-6,15H2,1H3,(H,24,25)
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43n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356725
PNG
(CHEMBL1917778)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1ccc(cc1)C(F)(F)F)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H16ClF3O5S/c1-34(31,32)22-12-15(2-4-17-13-19(25)9-11-21(17)33-14-23(29)30)3-10-20(22)16-5-7-18(8-6-16)24(26,27)28/h3,5-13H,14H2,1H3,(H,29,30)
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43n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356738
PNG
(CHEMBL1917791)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)ccc2ccccc12
Show InChI InChI=1S/C23H20O5S/c1-2-14-29(26,27)19-8-5-6-17(15-19)10-12-21-20-9-4-3-7-18(20)11-13-22(21)28-16-23(24)25/h3-9,11,13,15H,2,14,16H2,1H3,(H,24,25)
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44n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356731
PNG
(CHEMBL1917784)
Show SMILES CCN(CC)C(=O)c1ccc(cc1S(=O)(=O)C(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H26ClNO6S/c1-5-26(6-2)24(29)20-11-8-17(13-22(20)33(30,31)16(3)4)7-9-18-14-19(25)10-12-21(18)32-15-23(27)28/h8,10-14,16H,5-6,15H2,1-4H3,(H,27,28)
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46n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356649
PNG
(CHEMBL1917392)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccc1F
Show InChI InChI=1S/C16H10ClFO3/c17-13-7-8-15(21-10-16(19)20)12(9-13)6-5-11-3-1-2-4-14(11)18/h1-4,7-9H,10H2,(H,19,20)
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47n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356702
PNG
(CHEMBL1917617)
Show SMILES CS(=O)(=O)Cc1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H15ClO5S/c1-25(22,23)12-14-4-2-3-13(9-14)5-6-15-10-16(19)7-8-17(15)24-11-18(20)21/h2-4,7-10H,11-12H2,1H3,(H,20,21)
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48n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356701
PNG
(CHEMBL1917616)
Show SMILES CN(C)C(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClNO4/c1-21(2)19(24)15-5-3-4-13(10-15)6-7-14-11-16(20)8-9-17(14)25-12-18(22)23/h3-5,8-11H,12H2,1-2H3,(H,22,23)
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52n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356704
PNG
(CHEMBL1917619)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H14ClNO5S/c1-25(22,23)19-15-4-2-3-12(9-15)5-6-13-10-14(18)7-8-16(13)24-11-17(20)21/h2-4,7-10,19H,11H2,1H3,(H,20,21)
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54n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356746
PNG
(CHEMBL1917799)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1sc(C)nc1C
Show InChI InChI=1S/C24H23NO5S2/c1-4-13-32(28,29)19-8-5-7-18(14-19)11-12-20-21(24-16(2)25-17(3)31-24)9-6-10-22(20)30-15-23(26)27/h5-10,14H,4,13,15H2,1-3H3,(H,26,27)
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54n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356700
PNG
(CHEMBL1917615)
Show SMILES CN(C)C(=O)c1ccc(cc1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClNO4/c1-21(2)19(24)14-6-3-13(4-7-14)5-8-15-11-16(20)9-10-17(15)25-12-18(22)23/h3-4,6-7,9-11H,12H2,1-2H3,(H,22,23)
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55n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356737
PNG
(CHEMBL1917790)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1c(Cl)cccc1OCC(O)=O
Show InChI InChI=1S/C19H17ClO5S/c1-2-11-26(23,24)15-6-3-5-14(12-15)9-10-16-17(20)7-4-8-18(16)25-13-19(21)22/h3-8,12H,2,11,13H2,1H3,(H,21,22)
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55n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356753
PNG
(CHEMBL1917806)
Show SMILES CCCC(Oc1ccc(Cl)cc1C#Cc1cc(ccc1C)S(=O)(=O)CCC)C(O)=O
Show InChI InChI=1S/C23H25ClO5S/c1-4-6-22(23(25)26)29-21-12-10-19(24)14-18(21)9-8-17-15-20(11-7-16(17)3)30(27,28)13-5-2/h7,10-12,14-15,22H,4-6,13H2,1-3H3,(H,25,26)
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57n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356706
PNG
(CHEMBL1917621)
Show SMILES CS(=O)(=O)c1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H12ClNO5S/c1-24(21,22)14-6-11(8-18-9-14)2-3-12-7-13(17)4-5-15(12)23-10-16(19)20/h4-9H,10H2,1H3,(H,19,20)
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60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356647
PNG
(CHEMBL1917390)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-5-2-11(3-6-13)1-4-12-9-14(18)7-8-15(12)21-10-16(19)20/h2-3,5-9H,10H2,(H,19,20)
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60n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356730
PNG
(CHEMBL1917783)
Show SMILES CC(C)S(=O)(=O)c1cc(ccc1C(=O)N(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H22ClNO6S/c1-14(2)31(28,29)20-11-15(6-9-18(20)22(27)24(3)4)5-7-16-12-17(23)8-10-19(16)30-13-21(25)26/h6,8-12,14H,13H2,1-4H3,(H,25,26)
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65n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356735
PNG
(CHEMBL1917788)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(F)ccc1OCC(O)=O
Show InChI InChI=1S/C19H17FO5S/c1-2-10-26(23,24)17-5-3-4-14(11-17)6-7-15-12-16(20)8-9-18(15)25-13-19(21)22/h3-5,8-9,11-12H,2,10,13H2,1H3,(H,21,22)
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65n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356658
PNG
(CHEMBL1917401)
Show SMILES COCc1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H14ClFO4/c1-23-10-12-2-6-16(20)13(8-12)3-4-14-9-15(19)5-7-17(14)24-11-18(21)22/h2,5-9H,10-11H2,1H3,(H,21,22)
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72n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356655
PNG
(CHEMBL1917398)
Show SMILES OCc1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12ClFO4/c18-14-4-6-16(23-10-17(21)22)13(8-14)3-2-12-7-11(9-20)1-5-15(12)19/h1,4-8,20H,9-10H2,(H,21,22)
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73n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356699
PNG
(CHEMBL1917614)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H13ClO5S/c1-24(21,22)15-7-3-12(4-8-15)2-5-13-10-14(18)6-9-16(13)23-11-17(19)20/h3-4,6-10H,11H2,1H3,(H,19,20)
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86n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356732
PNG
(CHEMBL1917785)
Show SMILES CC(C)S(=O)(=O)c1cc(ccc1C(=O)N1CCOCC1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H24ClNO7S/c1-16(2)34(30,31)22-13-17(4-7-20(22)24(29)26-9-11-32-12-10-26)3-5-18-14-19(25)6-8-21(18)33-15-23(27)28/h4,6-8,13-14,16H,9-12,15H2,1-2H3,(H,27,28)
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87n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356651
PNG
(CHEMBL1917394)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10ClF3O3/c18-14-6-7-15(24-10-16(22)23)12(9-14)5-4-11-2-1-3-13(8-11)17(19,20)21/h1-3,6-9H,10H2,(H,22,23)
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92n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356652
PNG
(CHEMBL1917395)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc(F)cc1F
Show InChI InChI=1S/C16H9ClF2O3/c17-12-4-6-15(22-9-16(20)21)11(7-12)2-1-10-3-5-13(18)8-14(10)19/h3-8H,9H2,(H,20,21)
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101n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356644
PNG
(CHEMBL1917388)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccc1
Show InChI InChI=1S/C16H11ClO3/c17-14-8-9-15(20-11-16(18)19)13(10-14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2,(H,18,19)
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108n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356756
PNG
(CHEMBL1917404)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccnc1
Show InChI InChI=1S/C15H10ClNO3/c16-13-5-6-14(20-10-15(18)19)12(8-13)4-3-11-2-1-7-17-9-11/h1-2,5-9H,10H2,(H,18,19)
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117n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356705
PNG
(CHEMBL1917620)
Show SMILES CN(c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H16ClNO5S/c1-20(26(2,23)24)16-5-3-4-13(10-16)6-7-14-11-15(19)8-9-17(14)25-12-18(21)22/h3-5,8-11H,12H2,1-2H3,(H,21,22)
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122n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356758
PNG
(CHEMBL1917406)
Show SMILES Cc1ncccc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C16H12ClNO3/c1-11-12(3-2-8-18-11)4-5-13-9-14(17)6-7-15(13)21-10-16(19)20/h2-3,6-9H,10H2,1H3,(H,19,20)
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143n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356653
PNG
(CHEMBL1917396)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C14H8Cl2O3S/c15-10-2-5-12(19-8-14(17)18)9(7-10)1-3-11-4-6-13(16)20-11/h2,4-7H,8H2,(H,17,18)
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183n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356648
PNG
(CHEMBL1917391)
Show SMILES COc1ccccc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H13ClO4/c1-21-15-5-3-2-4-12(15)6-7-13-10-14(18)8-9-16(13)22-11-17(19)20/h2-5,8-10H,11H2,1H3,(H,19,20)
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190n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356750
PNG
(CHEMBL1917803)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H20ClFO5S/c1-4-11-29(26,27)17-8-9-18(23)14(13-17)5-6-15-12-16(22)7-10-19(15)28-21(2,3)20(24)25/h7-10,12-13H,4,11H2,1-3H3,(H,24,25)
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260n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356734
PNG
(CHEMBL1917787)
Show SMILES Cc1ccc(OCC(O)=O)c(c1)C#Cc1ccccc1Cl
Show InChI InChI=1S/C17H13ClO3/c1-12-6-9-16(21-11-17(19)20)14(10-12)8-7-13-4-2-3-5-15(13)18/h2-6,9-10H,11H2,1H3,(H,19,20)
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283n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356697
PNG
(CHEMBL1917612)
Show SMILES CN(C)CCCN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H27ClN2O5S/c1-17-6-10-21(32(29,30)26(4)13-5-12-25(2)3)15-18(17)7-8-19-14-20(24)9-11-22(19)31-16-23(27)28/h6,9-11,14-15H,5,12-13,16H2,1-4H3,(H,27,28)
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287n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356710
PNG
(CHEMBL1917625)
Show SMILES OCCNS(=O)(=O)c1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H15ClN2O6S/c18-14-3-4-16(26-11-17(22)23)13(8-14)2-1-12-7-15(10-19-9-12)27(24,25)20-5-6-21/h3-4,7-10,20-21H,5-6,11H2,(H,22,23)
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301n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356698
PNG
(CHEMBL1917613)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H25ClN2O5S/c1-16-5-9-20(31(28,29)25(4)12-11-24(2)3)14-17(16)6-7-18-13-19(23)8-10-21(18)30-15-22(26)27/h5,8-10,13-14H,11-12,15H2,1-4H3,(H,26,27)
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369n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356709
PNG
(CHEMBL1917624)
Show SMILES CN(c1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C17H15ClN2O5S/c1-20(26(2,23)24)15-7-12(9-19-10-15)3-4-13-8-14(18)5-6-16(13)25-11-17(21)22/h5-10H,11H2,1-2H3,(H,21,22)
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378n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356754
PNG
(CHEMBL1917807)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(CC(C)C)C(O)=O
Show InChI InChI=1S/C24H27ClO5S/c1-5-12-31(28,29)21-10-6-17(4)18(15-21)7-8-19-14-20(25)9-11-22(19)30-23(24(26)27)13-16(2)3/h6,9-11,14-16,23H,5,12-13H2,1-4H3,(H,26,27)
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515n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356757
PNG
(CHEMBL1917405)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccncc1
Show InChI InChI=1S/C15H10ClNO3/c16-13-3-4-14(20-10-15(18)19)12(9-13)2-1-11-5-7-17-8-6-11/h3-9H,10H2,(H,18,19)
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601n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356733
PNG
(CHEMBL1917786)
Show SMILES OC(=O)COc1ccccc1C#Cc1ccccc1Cl
Show InChI InChI=1S/C16H11ClO3/c17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)20-11-16(18)19/h1-8H,11H2,(H,18,19)
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747n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356660
PNG
(CHEMBL1917403)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccn1
Show InChI InChI=1S/C15H10ClNO3/c16-12-5-7-14(20-10-15(18)19)11(9-12)4-6-13-3-1-2-8-17-13/h1-3,5,7-9H,10H2,(H,18,19)
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1.12E+3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356654
PNG
(CHEMBL1917397)
Show SMILES Cn1ccnc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C14H11ClN2O3/c1-17-7-6-16-13(17)5-2-10-8-11(15)3-4-12(10)20-9-14(18)19/h3-4,6-8H,9H2,1H3,(H,18,19)
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1.47E+3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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1.58E+3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Binding affinity to DP1


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356736
PNG
(CHEMBL1917789)
Show SMILES OC(=O)COc1cc(F)ccc1C#Cc1ccccc1Cl
Show InChI InChI=1S/C16H10ClFO3/c17-14-4-2-1-3-11(14)5-6-12-7-8-13(18)9-15(12)21-10-16(19)20/h1-4,7-9H,10H2,(H,19,20)
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4.78E+3n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356765
PNG
(CHEMBL1917810)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(OC)cn1)C(=O)C1CC1
Show InChI InChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity human CRTH2 expressed in chinese hamster CHO cells assessed as inhibition of PGD2-induced [35S]GTPgamma binding by liquid scintil...


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356677
PNG
(CHEMBL1917592)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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n/an/a 8n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity human CRTH2 expressed in chinese hamster CHO cells assessed as inhibition of PGD2-induced [35S]GTPgamma binding by liquid scintil...


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356679
PNG
(CHEMBL1917594)
Show SMILES CCCS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16Cl2O5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356677
PNG
(CHEMBL1917592)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356683
PNG
(CHEMBL1917598)
Show SMILES CN(C)S(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H15ClFNO5S/c1-21(2)27(24,25)15-6-7-16(20)12(10-15)3-4-13-9-14(19)5-8-17(13)26-11-18(22)23/h5-10H,11H2,1-2H3,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356665
PNG
(CHEMBL1917580)
Show SMILES CS(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12Cl2O5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
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n/an/a 26n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356677
PNG
(CHEMBL1917592)
Show SMILES CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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n/an/a 28n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 29n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting in the presence of 0.1% BSA


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356687
PNG
(CHEMBL1917602)
Show SMILES CCNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H18ClNO5S/c1-3-21-27(24,25)17-8-4-13(2)14(11-17)5-6-15-10-16(20)7-9-18(15)26-12-19(22)23/h4,7-11,21H,3,12H2,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356663
PNG
(CHEMBL1917578)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClO5S/c1-12-3-7-16(25(2,22)23)10-13(12)4-5-14-9-15(19)6-8-17(14)24-11-18(20)21/h3,6-10H,11H2,1-2H3,(H,20,21)
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n/an/a 64n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356680
PNG
(CHEMBL1917595)
Show SMILES CC(C)S(=O)(=O)c1ccc(Cl)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16Cl2O5S/c1-12(2)27(24,25)16-6-7-17(21)13(10-16)3-4-14-9-15(20)5-8-18(14)26-11-19(22)23/h5-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 67n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356682
PNG
(CHEMBL1917597)
Show SMILES CN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H18ClNO5S/c1-13-4-8-17(27(24,25)21(2)3)11-14(13)5-6-15-10-16(20)7-9-18(15)26-12-19(22)23/h4,7-11H,12H2,1-3H3,(H,22,23)
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n/an/a 77n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356694
PNG
(CHEMBL1917609)
Show SMILES COCCN(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO6S/c1-15-4-8-19(30(26,27)23(2)10-11-28-3)13-16(15)5-6-17-12-18(22)7-9-20(17)29-14-21(24)25/h4,7-9,12-13H,10-11,14H2,1-3H3,(H,24,25)
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n/an/a 77n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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n/an/a 81n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356695
PNG
(CHEMBL1917610)
Show SMILES COCCNS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H20ClNO6S/c1-14-3-7-18(29(25,26)22-9-10-27-2)12-15(14)4-5-16-11-17(21)6-8-19(16)28-13-20(23)24/h3,6-8,11-12,22H,9-10,13H2,1-2H3,(H,23,24)
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n/an/a 88n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356678
PNG
(CHEMBL1917593)
Show SMILES CC(C)S(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClFO5S/c1-12(2)27(24,25)16-6-7-17(21)13(10-16)3-4-14-9-15(20)5-8-18(14)26-11-19(22)23/h5-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 91n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356664
PNG
(CHEMBL1917579)
Show SMILES CS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H12ClFO5S/c1-25(22,23)14-5-6-15(19)11(9-14)2-3-12-8-13(18)4-7-16(12)24-10-17(20)21/h4-9H,10H2,1H3,(H,20,21)
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n/an/a 95n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 104n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity human CRTH2 expressed in chinese hamster CHO cells assessed as inhibition of PGD2-induced [35S]GTPgamma binding by liquid scintil...


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 114n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356671
PNG
(CHEMBL1917586)
Show SMILES CC(C)CS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H21ClO5S/c1-14(2)13-28(25,26)19-8-4-15(3)16(11-19)5-6-17-10-18(22)7-9-20(17)27-12-21(23)24/h4,7-11,14H,12-13H2,1-3H3,(H,23,24)
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n/an/a 120n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356645
PNG
(CHEMBL1917387)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccccc1Cl
Show InChI InChI=1S/C16H10Cl2O3/c17-13-7-8-15(21-10-16(19)20)12(9-13)6-5-11-3-1-2-4-14(11)18/h1-4,7-9H,10H2,(H,19,20)
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n/an/a 123n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2-mediated chemotaxis of human eosinophils towards DK-PGD2 after 30 mins by fluorescence counter


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356689
PNG
(CHEMBL1917604)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22ClNO5S/c1-14(2)23(4)29(26,27)19-9-5-15(3)16(12-19)6-7-17-11-18(22)8-10-20(17)28-13-21(24)25/h5,8-12,14H,13H2,1-4H3,(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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n/an/a 172n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at AR


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356670
PNG
(CHEMBL1917585)
Show SMILES CC(C)S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-13(2)27(24,25)18-8-4-14(3)15(11-18)5-6-16-10-17(21)7-9-19(16)26-12-20(22)23/h4,7-11,13H,12H2,1-3H3,(H,22,23)
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n/an/a 190n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356688
PNG
(CHEMBL1917603)
Show SMILES CC(C)NS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H20ClNO5S/c1-13(2)22-28(25,26)18-8-4-14(3)15(11-18)5-6-16-10-17(21)7-9-19(16)27-12-20(23)24/h4,7-11,13,22H,12H2,1-3H3,(H,23,24)
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n/an/a 250n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356674
PNG
(CHEMBL1917589)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H17ClO5S/c1-16-7-11-21(30(27,28)20-5-3-2-4-6-20)14-17(16)8-9-18-13-19(24)10-12-22(18)29-15-23(25)26/h2-7,10-14H,15H2,1H3,(H,25,26)
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n/an/a 260n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356707
PNG
(CHEMBL1917622)
Show SMILES CN(C)S(=O)(=O)c1cncc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C17H15ClN2O5S/c1-20(2)26(23,24)15-7-12(9-19-10-15)3-4-13-8-14(18)5-6-16(13)25-11-17(21)22/h5-10H,11H2,1-2H3,(H,21,22)
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n/an/a 289n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356676
PNG
(CHEMBL1917591)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)CCCO
Show InChI InChI=1S/C20H19ClO6S/c1-14-3-7-18(28(25,26)10-2-9-22)12-15(14)4-5-16-11-17(21)6-8-19(16)27-13-20(23)24/h3,6-8,11-12,22H,2,9-10,13H2,1H3,(H,23,24)
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n/an/a 310n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356693
PNG
(CHEMBL1917608)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-16-6-10-21(31(28,29)25-12-4-3-5-17(25)2)14-18(16)7-8-19-13-20(24)9-11-22(19)30-15-23(26)27/h6,9-11,13-14,17H,3-5,12,15H2,1-2H3,(H,26,27)
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n/an/a 310n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356667
PNG
(CHEMBL1917582)
Show SMILES CC(C)c1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-13(2)18-8-7-17(27(3,24)25)11-14(18)4-5-15-10-16(21)6-9-19(15)26-12-20(22)23/h6-11,13H,12H2,1-3H3,(H,22,23)
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n/an/a 360n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356656
PNG
(CHEMBL1917399)
Show SMILES OCc1ccc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(F)c1
Show InChI InChI=1S/C17H12ClFO4/c18-14-5-6-16(23-10-17(21)22)13(8-14)4-3-12-2-1-11(9-20)7-15(12)19/h1-2,5-8,20H,9-10H2,(H,21,22)
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n/an/a 680n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356755
PNG
(CHEMBL1917575)
Show SMILES CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H17ClO5S/c1-2-10-26(23,24)17-5-3-4-14(11-17)6-7-15-12-16(20)8-9-18(15)25-13-19(21)22/h3-5,8-9,11-12H,2,10,13H2,1H3,(H,21,22)
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n/an/a 750n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356662
PNG
(CHEMBL1917577)
Show SMILES OCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C18H15ClO6S/c19-15-6-7-17(25-12-18(21)22)14(11-15)5-4-13-2-1-3-16(10-13)26(23,24)9-8-20/h1-3,6-7,10-11,20H,8-9,12H2,(H,21,22)
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n/an/a 990n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy in the presence of PGD2 and 0.1% BSA


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356666
PNG
(CHEMBL1917581)
Show SMILES CCCc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-4-14-7-9-18(27(2,24)25)12-15(14)5-6-16-11-17(21)8-10-19(16)26-13-20(22)23/h7-12H,3-4,13H2,1-2H3,(H,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus infected insect cells preincubated for 15 mins measured after 30 mins by luminescence...


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356713
PNG
(CHEMBL1917628)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2-c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C22H13ClO5S/c23-16-8-10-19(28-13-22(24)25)15(12-16)7-5-14-6-9-18-17-3-1-2-4-20(17)29(26,27)21(18)11-14/h1-4,6,8-12H,13H2,(H,24,25)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50356646
PNG
(CHEMBL1917389)
Show SMILES OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50356669
PNG
(CHEMBL1917584)
Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H19ClO5S/c1-3-10-27(24,25)18-8-4-14(2)15(12-18)5-6-16-11-17(21)7-9-19(16)26-13-20(22)23/h4,7-9,11-12H,3,10,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at DP1 by cAMP functional assay


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%