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Compile Data Set for Download or QSAR

Found 305 hits with Last Name = 'burgat-charvillon' and Initial = 'f'   
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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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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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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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