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Compile Data Set for Download or QSAR

Found 64 hits from 7TM Pharma   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200260
PNG
(4-bromo-2-[1-(4-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-1-4-14(5-2-12)22-9-11(8-21-22)18(25)15-7-13(20)3-6-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200271
PNG
(4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200266
PNG
(4-bromo-2-[1-(4-chlorophenyl)-1H-pyrazole-4-carbon...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12BrClN2O4/c19-12-1-6-16(26-10-17(23)24)15(7-12)18(25)11-8-21-22(9-11)14-4-2-13(20)3-5-14/h1-9H,10H2,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200265
PNG
(4-bromo-2-[1-(2-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)
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n/an/a 1.90n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50200271
PNG
(4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 3.20n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200262
PNG
(4-bromo-2-[1-(3-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1cccc(Br)c1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-2-1-3-14(6-12)22-9-11(8-21-22)18(25)15-7-13(20)4-5-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 3.40n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200247
PNG
(4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbo...)
Show SMILES COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200265
PNG
(4-bromo-2-[1-(2-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200260
PNG
(4-bromo-2-[1-(4-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-1-4-14(5-2-12)22-9-11(8-21-22)18(25)15-7-13(20)3-6-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200267
PNG
(CHEMBL214668 | [3',5'-difluoro-3-(1-phenyl-1H-pyra...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H16F2N2O4/c25-18-8-16(9-19(26)11-18)15-6-7-22(32-14-23(29)30)21(10-15)24(31)17-12-27-28(13-17)20-4-2-1-3-5-20/h1-13H,14H2,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200270
PNG
(4-chloro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13ClN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200266
PNG
(4-bromo-2-[1-(4-chlorophenyl)-1H-pyrazole-4-carbon...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12BrClN2O4/c19-12-1-6-16(26-10-17(23)24)15(7-12)18(25)11-8-21-22(9-11)14-4-2-13(20)3-5-14/h1-9H,10H2,(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200271
PNG
(4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 24n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200262
PNG
(4-bromo-2-[1-(3-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1cccc(Br)c1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-2-1-3-14(6-12)22-9-11(8-21-22)18(25)15-7-13(20)4-5-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200259
PNG
(CHEMBL217624 | [4'-chloro-3-(1-phenyl-1H-pyrazole-...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17ClN2O4/c25-19-9-6-16(7-10-19)17-8-11-22(31-15-23(28)29)21(12-17)24(30)18-13-26-27(14-18)20-4-2-1-3-5-20/h1-14H,15H2,(H,28,29)
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n/an/a 37n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200255
PNG
(3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-ylox...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-23(28)16-30-22-12-11-18(17-7-3-1-4-8-17)13-21(22)24(29)19-14-25-26(15-19)20-9-5-2-6-10-20/h1-15H,16H2,(H,27,28)
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n/an/a 42n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200277
PNG
(4-nitro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N3O6/c22-17(23)11-27-16-7-6-14(21(25)26)8-15(16)18(24)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200273
PNG
(4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES Cc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-13-7-8-17(25-12-18(22)23)16(9-13)19(24)14-10-20-21(11-14)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23)
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n/an/a 48n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200247
PNG
(4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbo...)
Show SMILES COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
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n/an/a 53n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200254
PNG
(2-(2-benzoyl-4-bromophenoxy)acetic acid | CHEMBL21...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H11BrO4/c16-11-6-7-13(20-9-14(17)18)12(8-11)15(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
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n/an/a 53n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200276
PNG
(CHEMBL217167 | {4-bromo-2-[(quinolin-8-ylhydrazono...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1cccc2cccnc12
Show InChI InChI=1S/C18H14BrN3O3/c19-14-6-7-16(25-11-17(23)24)13(9-14)10-21-22-15-5-1-3-12-4-2-8-20-18(12)15/h1-9H,10-11H2,(H,23,24)
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n/an/a 54n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200269
PNG
(2-(4-bromo-2-tert-butylphenoxy)acetic acid | CHEMB...)
Show SMILES CC(C)(C)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-5-10(9)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
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n/an/a 61n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200264
PNG
((4-bromo-2-{[(5-phenyl-1,2,4-triazin-3-yl)hydrazon...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1nncc(n1)-c1ccccc1
Show InChI InChI=1S/C18H14BrN5O3/c19-14-6-7-16(27-11-17(25)26)13(8-14)9-20-23-18-22-15(10-21-24-18)12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,25,26)
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n/an/a 89n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200256
PNG
(4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES OC(=O)COc1ccc(F)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13FN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 108n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200251
PNG
(2-(4-bromo-2-formylphenoxy)acetic acid | CHEMBL385...)
Show SMILES OC(=O)COc1ccc(Br)cc1C=O
Show InChI InChI=1S/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
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n/an/a 124n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200267
PNG
(CHEMBL214668 | [3',5'-difluoro-3-(1-phenyl-1H-pyra...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H16F2N2O4/c25-18-8-16(9-19(26)11-18)15-6-7-22(32-14-23(29)30)21(10-15)24(31)17-12-27-28(13-17)20-4-2-1-3-5-20/h1-13H,14H2,(H,29,30)
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n/an/a 147n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200268
PNG
(4-methoxy-2-(1-phenyl-1H-pyrazole-4-carbonyl)pheno...)
Show SMILES COc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O5/c1-25-15-7-8-17(26-12-18(22)23)16(9-15)19(24)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
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n/an/a 151n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200275
PNG
(CHEMBL216366 | ethyl 4-bromo-2-(1-phenyl-1H-pyrazo...)
Show SMILES CCOC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H17BrN2O4/c1-2-26-19(24)13-27-18-9-8-15(21)10-17(18)20(25)14-11-22-23(12-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3
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n/an/a 165n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200270
PNG
(4-chloro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13ClN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 185n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200277
PNG
(4-nitro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N3O6/c22-17(23)11-27-16-7-6-14(21(25)26)8-15(16)18(24)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,23)
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n/an/a 236n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200272
PNG
(CHEMBL386358 | {4-bromo-2-[(pyridin-2-ylhydrazono)...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1ccccn1
Show InChI InChI=1S/C14H12BrN3O3/c15-11-4-5-12(21-9-14(19)20)10(7-11)8-17-18-13-3-1-2-6-16-13/h1-7H,8-9H2,(H,19,20)
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n/an/a 255n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200249
PNG
(2-(4-bromo-2-(isoxazole-5-carbonyl)phenoxy)acetic ...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1ccno1
Show InChI InChI=1S/C12H8BrNO5/c13-7-1-2-9(18-6-11(15)16)8(5-7)12(17)10-3-4-14-19-10/h1-5H,6H2,(H,15,16)
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n/an/a 391n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200269
PNG
(2-(4-bromo-2-tert-butylphenoxy)acetic acid | CHEMB...)
Show SMILES CC(C)(C)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-5-10(9)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
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n/an/a 423n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200254
PNG
(2-(2-benzoyl-4-bromophenoxy)acetic acid | CHEMBL21...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H11BrO4/c16-11-6-7-13(20-9-14(17)18)12(8-11)15(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
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n/an/a 437n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200259
PNG
(CHEMBL217624 | [4'-chloro-3-(1-phenyl-1H-pyrazole-...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17ClN2O4/c25-19-9-6-16(7-10-19)17-8-11-22(31-15-23(28)29)21(12-17)24(30)18-13-26-27(14-18)20-4-2-1-3-5-20/h1-14H,15H2,(H,28,29)
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n/an/a 448n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200251
PNG
(2-(4-bromo-2-formylphenoxy)acetic acid | CHEMBL385...)
Show SMILES OC(=O)COc1ccc(Br)cc1C=O
Show InChI InChI=1S/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
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n/an/a 481n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200255
PNG
(3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-ylox...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-23(28)16-30-22-12-11-18(17-7-3-1-4-8-17)13-21(22)24(29)19-14-25-26(15-19)20-9-5-2-6-10-20/h1-15H,16H2,(H,27,28)
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n/an/a 485n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200252
PNG
(2-(2-acetyl-4-bromophenoxy)acetic acid | CHEMBL384...)
Show SMILES CC(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
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n/an/a 510n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200258
PNG
(2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic a...)
Show SMILES OC(=O)COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O4/c21-17(22)12-24-16-9-5-4-8-15(16)18(23)13-10-19-20(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H,21,22)
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n/an/a 510n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200263
PNG
(CHEMBL217709 | [2-({[(2,4-dichlorophenoxy)acetyl]h...)
Show SMILES OC(=O)COc1ccccc1C=NNC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
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7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200273
PNG
(4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES Cc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-13-7-8-17(25-12-18(22)23)16(9-13)19(24)14-10-20-21(11-14)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23)
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n/an/a 587n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200276
PNG
(CHEMBL217167 | {4-bromo-2-[(quinolin-8-ylhydrazono...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1cccc2cccnc12
Show InChI InChI=1S/C18H14BrN3O3/c19-14-6-7-16(25-11-17(23)24)13(9-14)10-21-22-15-5-1-3-12-4-2-8-20-18(12)15/h1-9H,10-11H2,(H,23,24)
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n/an/a 643n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200250
PNG
(2-(4-bromo-2-(hydroxymethyl)phenoxy)acetic acid | ...)
Show SMILES OCc1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C9H9BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
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n/an/a 886n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200256
PNG
(4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenox...)
Show SMILES OC(=O)COc1ccc(F)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13FN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 1.32E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200257
PNG
(CHEMBL214620 | [2-(({[5-(4-methoxyphenyl)-1,2,4-tr...)
Show SMILES COc1ccc(cc1)-c1cnnc(N=NCc2ccccc2OCC(O)=O)n1
Show InChI InChI=1S/C19H17N5O4/c1-27-15-8-6-13(7-9-15)16-11-21-24-19(22-16)23-20-10-14-4-2-3-5-17(14)28-12-18(25)26/h2-9,11H,10,12H2,1H3,(H,25,26)
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n/an/a 1.58E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200248
PNG
(2-(2-formylphenoxy)acetic acid | CHEMBL384289 | In...)
Show SMILES OC(=O)COc1ccccc1C=O
Show InChI InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
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n/an/a 1.97E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


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


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200249
PNG
(2-(4-bromo-2-(isoxazole-5-carbonyl)phenoxy)acetic ...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1ccno1
Show InChI InChI=1S/C12H8BrNO5/c13-7-1-2-9(18-6-11(15)16)8(5-7)12(17)10-3-4-14-19-10/h1-5H,6H2,(H,15,16)
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n/an/a 2.65E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200275
PNG
(CHEMBL216366 | ethyl 4-bromo-2-(1-phenyl-1H-pyrazo...)
Show SMILES CCOC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H17BrN2O4/c1-2-26-19(24)13-27-18-9-8-15(21)10-17(18)20(25)14-11-22-23(12-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200264
PNG
((4-bromo-2-{[(5-phenyl-1,2,4-triazin-3-yl)hydrazon...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1nncc(n1)-c1ccccc1
Show InChI InChI=1S/C18H14BrN5O3/c19-14-6-7-16(27-11-17(25)26)13(8-14)9-20-23-18-22-15(10-21-24-18)12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,25,26)
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n/an/a 3.21E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200272
PNG
(CHEMBL386358 | {4-bromo-2-[(pyridin-2-ylhydrazono)...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=Nc1ccccn1
Show InChI InChI=1S/C14H12BrN3O3/c15-11-4-5-12(21-9-14(19)20)10(7-11)8-17-18-13-3-1-2-6-16-13/h1-7H,8-9H2,(H,19,20)
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n/an/a 3.49E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
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