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Compile Data Set for Download or QSAR

Found 215 hits Enz. Inhib. hit(s) with all data for entry = 6408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127166
PNG
(US8791272, 2.42)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C29H31N3O3/c1-4-7-26-25(17-27(33)34)28(19(2)3)32(31-26)18-20-10-14-24(15-11-20)30-29(35)23-13-12-21-8-5-6-9-22(21)16-23/h5-6,8-16,19H,4,7,17-18H2,1-3H3,(H,30,35)(H,33,34)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50397639
PNG
(CHEMBL2181751 | US8791272, 2.47)
Show SMILES CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)C1CC1
Show InChI InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)30-31(21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127194
PNG
(US8791272, 3.12)
Show SMILES CCc1nn(Cc2ccc(NC(=O)OCc3ccc4ccccc4c3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C28H29N3O4/c1-3-25-24(16-27(32)33)26(4-2)31(30-25)17-19-10-13-23(14-11-19)29-28(34)35-18-20-9-12-21-7-5-6-8-22(21)15-20/h5-15H,3-4,16-18H2,1-2H3,(H,29,34)(H,32,33)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127191
PNG
(US8791272, 3.9)
Show SMILES CCc1nn(Cc2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H25Cl2N3O4/c1-3-21-18(12-23(30)31)22(4-2)29(28-21)13-15-5-8-17(9-6-15)27-24(32)33-14-16-7-10-19(25)20(26)11-16/h5-11H,3-4,12-14H2,1-2H3,(H,27,32)(H,30,31)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127296
PNG
(US8791272, 17.1)
Show SMILES CCc1nn(C(C)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C25H26F3N3O3/c1-4-21-20(14-23(32)33)22(5-2)31(30-21)15(3)16-8-12-19(13-9-16)29-24(34)17-6-10-18(11-7-17)25(26,27)28/h6-13,15H,4-5,14H2,1-3H3,(H,29,34)(H,32,33)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127173
PNG
(US8791272, 2.50)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C2CC2)c1CC(O)=O
Show InChI InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)31(30-21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33)
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0.100n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127131
PNG
(US8791272, 2.14)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-3-24-23(16-26(31)32)25(4-2)30(29-24)17-18-9-13-22(14-10-18)28-27(33)21-12-11-19-7-5-6-8-20(19)15-21/h5-15H,3-4,16-17H2,1-2H3,(H,28,33)(H,31,32)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127104
PNG
(US8791272, 1.15)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-16-22(14-23(29)30)17(2)28(27-16)15-18-6-12-21(13-7-18)26-24(31)19-8-10-20(11-9-19)25(3,4)5/h6-13H,14-15H2,1-5H3,(H,26,31)(H,29,30)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127125
PNG
(US8791272, 2.1)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H24F3N3O3/c1-3-20-19(13-22(31)32)21(4-2)30(29-20)14-15-5-11-18(12-6-15)28-23(33)16-7-9-17(10-8-16)24(25,26)27/h5-12H,3-4,13-14H2,1-2H3,(H,28,33)(H,31,32)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127176
PNG
(US8791272, 2.53)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H22F3N3O3/c1-3-20-19(12-21(30)31)14(2)29(28-20)13-15-4-10-18(11-5-15)27-22(32)16-6-8-17(9-7-16)23(24,25)26/h4-11H,3,12-13H2,1-2H3,(H,27,32)(H,30,31)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127165
PNG
(US8791272, 2.41)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C26H28F3N3O3/c1-4-5-22-21(14-23(33)34)24(16(2)3)32(31-22)15-17-6-12-20(13-7-17)30-25(35)18-8-10-19(11-9-18)26(27,28)29/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,35)(H,33,34)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127164
PNG
(US8791272, 2.40)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H27Cl2N3O3/c1-4-5-22-19(13-23(31)32)24(15(2)3)30(29-22)14-16-6-9-18(10-7-16)28-25(33)17-8-11-20(26)21(27)12-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,28,33)(H,31,32)
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0.200n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127130
PNG
(US8791272, 2.6)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C23H23Cl2N3O3/c1-3-20-17(12-22(29)30)21(4-2)28(27-20)13-14-5-8-16(9-6-14)26-23(31)15-7-10-18(24)19(25)11-15/h5-11H,3-4,12-13H2,1-2H3,(H,26,31)(H,29,30)
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0.25n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127209
PNG
(US8791272, 7.5)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2C)c(C)c1CC(O)=O
Show InChI InChI=1S/C26H25N3O3/c1-16-12-23(27-26(32)21-9-8-19-6-4-5-7-20(19)13-21)11-10-22(16)15-29-18(3)24(14-25(30)31)17(2)28-29/h4-13H,14-15H2,1-3H3,(H,27,32)(H,30,31)
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0.300n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127185
PNG
(US8791272, 3.3)
Show SMILES CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H27N3O4/c1-3-21-20(14-23(28)29)22(4-2)27(26-21)15-17-10-12-19(13-11-17)25-24(30)31-16-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,25,30)(H,28,29)
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0.300n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127161
PNG
(US8791272, 2.37)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H28ClN3O3/c1-4-5-22-21(14-23(30)31)24(16(2)3)29(28-22)15-17-6-12-20(13-7-17)27-25(32)18-8-10-19(26)11-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,32)(H,30,31)
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0.400n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127175
PNG
(US8791272, 2.52)
Show SMILES CCc1c(CC(O)=O)c(C)nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-3-20-19(12-21(30)31)14(2)28-29(20)13-15-4-10-18(11-5-15)27-22(32)16-6-8-17(9-7-16)23(24,25)26/h4-11H,3,12-13H2,1-2H3,(H,27,32)(H,30,31)
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0.5n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127259
PNG
(US8791272, 9.27)
Show SMILES CCc1nn(Cc2ccc(cc2F)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H22ClF4N3O3/c1-3-20-16(11-22(33)34)21(4-2)32(31-20)12-14-6-5-13(9-19(14)26)23(35)30-15-7-8-18(25)17(10-15)24(27,28)29/h5-10H,3-4,11-12H2,1-2H3,(H,30,35)(H,33,34)
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0.5n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127186
PNG
(US8791272, 3.4)
Show SMILES Cc1nn(Cc2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C22H21Cl2N3O4/c1-13-18(10-21(28)29)14(2)27(26-13)11-15-3-6-17(7-4-15)25-22(30)31-12-16-5-8-19(23)20(24)9-16/h3-9H,10-12H2,1-2H3,(H,25,30)(H,28,29)
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0.5n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127138
PNG
(US8791272, 2.21)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3cccc4CCCCc34)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C27H31N3O3/c1-3-24-23(16-26(31)32)25(4-2)30(29-24)17-18-12-14-20(15-13-18)28-27(33)22-11-7-9-19-8-5-6-10-21(19)22/h7,9,11-15H,3-6,8,10,16-17H2,1-2H3,(H,28,33)(H,31,32)
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0.5n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127172
PNG
(US8791272, 2.49)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)c(C2CC2)c1CC(O)=O
Show InChI InChI=1S/C25H26ClN3O3/c1-3-22-21(13-23(30)31)24(17-6-7-17)29(28-22)14-16-4-9-19(10-5-16)27-25(32)20-11-8-18(26)12-15(20)2/h4-5,8-12,17H,3,6-7,13-14H2,1-2H3,(H,27,32)(H,30,31)
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0.600n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127170
PNG
(US8791272, 2.46)
Show SMILES CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1)C1CC1
Show InChI InChI=1S/C25H26ClN3O3/c1-3-22-21(13-23(30)31)24(17-6-7-17)28-29(22)14-16-4-9-19(10-5-16)27-25(32)20-11-8-18(26)12-15(20)2/h4-5,8-12,17H,3,6-7,13-14H2,1-2H3,(H,27,32)(H,30,31)
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0.600n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127219
PNG
(US8791272, 7.15)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C21H18Cl3N3O3/c1-11-16(9-20(28)29)12(2)27(26-11)10-14-3-5-15(8-18(14)23)25-21(30)13-4-6-17(22)19(24)7-13/h3-8H,9-10H2,1-2H3,(H,25,30)(H,28,29)
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0.600n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127189
PNG
(US8791272, 3.7)
Show SMILES Cc1nn(Cc2ccc(NC(=O)OCc3ccc4ccccc4c3)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C26H25N3O4/c1-17-24(14-25(30)31)18(2)29(28-17)15-19-8-11-23(12-9-19)27-26(32)33-16-20-7-10-21-5-3-4-6-22(21)13-20/h3-13H,14-16H2,1-2H3,(H,27,32)(H,30,31)
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0.600n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127134
PNG
(US8791272, 2.17)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Br)cc3C)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H26BrN3O3/c1-4-21-20(13-23(29)30)22(5-2)28(27-21)14-16-6-9-18(10-7-16)26-24(31)19-11-8-17(25)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,26,31)(H,29,30)
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0.700n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127160
PNG
(US8791272, 2.36)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc(cc3C)C(F)(F)F)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C27H30F3N3O3/c1-5-6-23-22(14-24(34)35)25(16(2)3)33(32-23)15-18-7-10-20(11-8-18)31-26(36)21-12-9-19(13-17(21)4)27(28,29)30/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,36)(H,34,35)
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0.700n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127129
PNG
(US8791272, 2.5)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C23H24ClN3O3/c1-3-20-19(13-22(28)29)21(4-2)27(26-20)14-15-5-11-18(12-6-15)25-23(30)16-7-9-17(24)10-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,25,30)(H,28,29)
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0.75n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127212
PNG
(US8791272, 7.8)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C22H19ClF3N3O3/c1-12-18(10-20(30)31)13(2)29(28-12)11-15-5-8-17(9-19(15)23)27-21(32)14-3-6-16(7-4-14)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,27,32)(H,30,31)
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0.800n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127150
PNG
(US8791272, 2.33)
Show SMILES CCc1nn(Cc2ccc(NC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(CC)c1CC(O)=O |r,wU:16.22,14.24,wD:18.17,20.21,(1.28,4.24,;2.77,4.64,;3.86,3.55,;3.38,2.09,;4.63,1.18,;4.63,-.36,;3.3,-1.13,;1.96,-.36,;.63,-1.13,;.63,-2.67,;-.71,-3.44,;-2.04,-2.67,;-2.04,-1.13,;-3.37,-3.44,;-4.7,-3.06,;-6.38,-4.77,;-6.67,-6.13,;-7.07,-4.64,;-5.98,-3.55,;-4.49,-3.95,;-4.1,-5.43,;-5.19,-6.52,;-5.23,-1.62,;1.96,-3.44,;3.3,-2.67,;5.87,2.09,;7.36,1.69,;7.76,.2,;5.4,3.55,;6.49,4.64,;6.09,6.13,;7.18,7.22,;4.6,6.53,)|
Show InChI InChI=1S/C27H35N3O3/c1-3-23-22(14-25(31)32)24(4-2)30(29-23)15-16-5-7-21(8-6-16)28-27(33)26-19-10-17-9-18(12-19)13-20(26)11-17/h5-8,17-20,26H,3-4,9-15H2,1-2H3,(H,28,33)(H,31,32)/t17-,18+,19-,20+,26?
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0.800n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127156
PNG
(US8791272, 2.10)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(c1CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C26H21Cl2N3O3/c1-16-21(14-24(32)33)25(18-5-3-2-4-6-18)31(30-16)15-17-7-10-20(11-8-17)29-26(34)19-9-12-22(27)23(28)13-19/h2-13H,14-15H2,1H3,(H,29,34)(H,32,33)
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0.800n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127215
PNG
(US8791272, 7.11)
Show SMILES Cc1nn(Cc2ccc(NC(=O)\C=C\c3ccccc3)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H22ClN3O3/c1-15-20(13-23(29)30)16(2)27(26-15)14-18-9-10-19(12-21(18)24)25-22(28)11-8-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,29,30)/b11-8+
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0.900n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127245
PNG
(US8791272, 9.13)
Show SMILES CCc1nn(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H23ClF3N3O3/c1-3-20-17(12-22(32)33)21(4-2)31(30-20)13-14-5-7-15(8-6-14)23(34)29-16-9-10-19(25)18(11-16)24(26,27)28/h5-11H,3-4,12-13H2,1-2H3,(H,29,34)(H,32,33)
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0.900n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127162
PNG
(US8791272, 2.38)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C26H30ClN3O3/c1-5-6-23-22(14-24(31)32)25(16(2)3)30(29-23)15-18-7-10-20(11-8-18)28-26(33)21-12-9-19(27)13-17(21)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,28,33)(H,31,32)
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1n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127221
PNG
(US8791272, 7.17)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2F)c(C)c1CC(O)=O
Show InChI InChI=1S/C22H19F4N3O3/c1-12-18(10-20(30)31)13(2)29(28-12)11-15-5-8-17(9-19(15)23)27-21(32)14-3-6-16(7-4-14)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,27,32)(H,30,31)
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1.10n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127126
PNG
(US8791272, 2.2)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H26ClN3O3/c1-4-21-20(13-23(29)30)22(5-2)28(27-21)14-16-6-9-18(10-7-16)26-24(31)19-11-8-17(25)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,26,31)(H,29,30)
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1.10n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127103
PNG
(US8791272, 1.14)
Show SMILES Cc1nn(Cc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H22ClN3O3/c1-15-21(13-23(29)30)16(2)27(26-15)14-18-5-10-20(11-6-18)25-22(28)12-7-17-3-8-19(24)9-4-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,29,30)/b12-7+
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1.10n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127210
PNG
(US8791272, 7.6)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C21H19Cl2N3O3/c1-12-18(10-20(27)28)13(2)26(25-12)11-15-5-8-17(9-19(15)23)24-21(29)14-3-6-16(22)7-4-14/h3-9H,10-11H2,1-2H3,(H,24,29)(H,27,28)
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1.20n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127157
PNG
(US8791272, 2.11)
Show SMILES Cc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C27H22F3N3O3/c1-17-23(15-24(34)35)25(19-5-3-2-4-6-19)32-33(17)16-18-7-13-22(14-8-18)31-26(36)20-9-11-21(12-10-20)27(28,29)30/h2-14H,15-16H2,1H3,(H,31,36)(H,34,35)
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1.20n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127154
PNG
(US8791272, 2.8)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(c1CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C30H25N3O3/c1-20-27(18-28(34)35)29(23-8-3-2-4-9-23)33(32-20)19-21-11-15-26(16-12-21)31-30(36)25-14-13-22-7-5-6-10-24(22)17-25/h2-17H,18-19H2,1H3,(H,31,36)(H,34,35)
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1.30n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127128
PNG
(US8791272, 2.4)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C24H27N3O3/c1-4-21-20(14-23(28)29)22(5-2)27(26-21)15-17-8-12-19(13-9-17)25-24(30)18-10-6-16(3)7-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)(H,28,29)
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1.30n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127217
PNG
(US8791272, 7.13)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C25H22ClN3O3/c1-15-22(13-24(30)31)16(2)29(28-15)14-20-9-10-21(12-23(20)26)27-25(32)19-8-7-17-5-3-4-6-18(17)11-19/h3-12H,13-14H2,1-2H3,(H,27,32)(H,30,31)
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1.30n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127132
PNG
(US8791272, 2.15)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-5-22-21(14-24(29)30)23(6-2)28(27-22)15-18-8-10-19(11-9-18)26-25(31)20-12-7-16(3)13-17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,26,31)(H,29,30)
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1.40n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127163
PNG
(US8791272, 2.39)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-4-8-22-21(15-23(29)30)24(17(2)3)28(27-22)16-18-11-13-20(14-12-18)26-25(31)19-9-6-5-7-10-19/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,31)(H,29,30)
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1.60n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127218
PNG
(US8791272, 7.14)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3C)C(F)(F)F)cc2Cl)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H21ClF3N3O3/c1-12-8-16(23(25,26)27)5-7-18(12)22(33)28-17-6-4-15(20(24)9-17)11-30-14(3)19(10-21(31)32)13(2)29-30/h4-9H,10-11H2,1-3H3,(H,28,33)(H,31,32)
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1.60n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127298
PNG
(US8791272, 18.1)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c(C)c1CC(O)=O
Show InChI InChI=1S/C20H18Cl2N4O3/c1-11-16(8-19(27)28)12(2)26(25-11)10-15-5-4-14(9-23-15)24-20(29)13-3-6-17(21)18(22)7-13/h3-7,9H,8,10H2,1-2H3,(H,24,29)(H,27,28)
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1.60n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127155
PNG
(US8791272, 2.9)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(c1CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H22F3N3O3/c1-17-23(15-24(34)35)25(19-5-3-2-4-6-19)33(32-17)16-18-7-13-22(14-8-18)31-26(36)20-9-11-21(12-10-20)27(28,29)30/h2-14H,15-16H2,1H3,(H,31,36)(H,34,35)
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1.80n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127171
PNG
(US8791272, 2.48)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3cccc4ccccc34)cc2)c(C2CC2)c1CC(O)=O
Show InChI InChI=1S/C28H27N3O3/c1-2-25-24(16-26(32)33)27(20-12-13-20)31(30-25)17-18-10-14-21(15-11-18)29-28(34)23-9-5-7-19-6-3-4-8-22(19)23/h3-11,14-15,20H,2,12-13,16-17H2,1H3,(H,29,34)(H,32,33)
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1.80n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127225
PNG
(US8791272, 7.21)
Show SMILES Cc1nn(Cc2ccc(NC(=O)\C=C\c3ccccc3)cc2F)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H22FN3O3/c1-15-20(13-23(29)30)16(2)27(26-15)14-18-9-10-19(12-21(18)24)25-22(28)11-8-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,29,30)/b11-8+
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1.90n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127139
PNG
(US8791272, 2.22)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C23H23BrClN3O3/c1-3-20-18(12-22(29)30)21(4-2)28(27-20)13-14-5-8-16(9-6-14)26-23(31)17-10-7-15(24)11-19(17)25/h5-11H,3-4,12-13H2,1-2H3,(H,26,31)(H,29,30)
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1.90n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM127224
PNG
(US8791272, 7.20)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2F)c(C)c1CC(O)=O
Show InChI InChI=1S/C25H22FN3O3/c1-15-22(13-24(30)31)16(2)29(28-15)14-20-9-10-21(12-23(20)26)27-25(32)19-8-7-17-5-3-4-6-18(17)11-19/h3-12H,13-14H2,1-2H3,(H,27,32)(H,30,31)
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2.20n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair
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