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Compile Data Set for Download or QSAR

Found 1171 hits with Last Name = 'hamprecht' and Initial = 'd'   
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))
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))
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002630
PNG
(CHEMBL377174)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21|
Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
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))
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))
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312271
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
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))
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))
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))
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002642
PNG
(CHEMBL213987)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-9,15-16H,2-4,10-14H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002616
PNG
(CHEMBL213839)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21|
Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor in rat native tissue by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411716
PNG
(CHEMBL429132)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H36N6OS/c1-20-10-11-23-24(8-6-9-25(23)32-20)28-34-35-30(36(28)5)39-17-7-14-37-15-12-21-18-26-27(19-22(21)13-16-37)38-29(33-26)31(2,3)4/h6,8-11,18-19H,7,12-17H2,1-5H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
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))
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))
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411713
PNG
(CHEMBL255620)
Show SMILES CN(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C29H33N7OS/c1-19-9-10-22-23(7-5-8-24(22)30-19)27-32-33-29(35(27)4)38-16-6-13-36-14-11-20-17-25-26(18-21(20)12-15-36)37-28(31-25)34(2)3/h5,7-10,17-18H,6,11-16H2,1-4H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414436
PNG
(CHEMBL560574)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
Show InChI InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
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))
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))
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414435
PNG
(CHEMBL569846)
Show SMILES Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-6-21(7-5-13)8-9-22-10-11-23(16(22)25)14-2-1-3-15(24)12-14/h1-3,12-13,24H,4-11H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414406
PNG
(CHEMBL561512)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19Cl2N3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
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