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Compile Data Set for Download or QSAR

Found 3818 hits Enz. Inhib. hit(s) with Target = 'Chemoattractant receptor-homologous molecule expressed on Th2 cells'   
Target
(Institution)
LigandTarget
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))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 0.0120n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50397638
PNG
(CHEMBL2181748)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1Oc1ncc(cc1Br)S(C)(=O)=O
Show InChI InChI=1S/C19H15BrFNO5S/c1-10-12(6-17(23)24)5-11-3-4-13(21)7-15(11)18(10)27-19-16(20)8-14(9-22-19)28(2,25)26/h3-5,7-9H,6H2,1-2H3,(H,23,24)
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n/an/a 0.0200n/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2


J Med Chem 55: 2915-31 (2012)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312907
PNG
(2-(4-(4-chlorophenyl)-2-(diphenylamino)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0720n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312909
PNG
(2-(2-(diphenylamino)-4-(3-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0790n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
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n/an/a 0.0850n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312908
PNG
(2-(2-(diphenylamino)-4-(4-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0980n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM155041
PNG
(US9000044, 60)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H18F7NO4S/c1-14-17(9-24(36)37)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)35-40(38,39)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13,35H,9H2,1H3,(H,36,37)
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n/an/a 0.100n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344999
PNG
(2-(2'-chloro-4'-(N-methylmethylsulfonamido)-5-(tri...)
Show SMILES CN(c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C17H15ClF3NO5S/c1-22(28(2,25)26)11-4-5-12(14(18)8-11)13-7-10(17(19,20)21)3-6-15(13)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205858
PNG
(US9255090, 327)
Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2cc(F)ccc12
Show InChI InChI=1/C30H29F2NO5/c1-2-37-27-13-18(14-30(35)36)3-5-24(27)22-7-8-26(32)23-9-11-33(17-25(22)23)29(34)15-19-10-12-38-28-16-20(31)4-6-21(19)28/h3-8,13,16,19H,2,9-12,14-15,17H2,1H3,(H,35,36)
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n/an/a 0.200n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189204
PNG
(US9169270, 76)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)/t20-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344993
PNG
(2-(2'-chloro-4'-(methylsulfonyl)-5-(trifluoromethy...)
Show SMILES CS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C16H12ClF3O5S/c1-26(23,24)10-3-4-11(13(17)7-10)12-6-9(16(18,19)20)2-5-14(12)25-8-15(21)22/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344995
PNG
(2-(5'-cyano-2'-methyl-5-(trifluoromethyl)biphenyl-...)
Show SMILES Cc1ccc(cc1-c1cc(ccc1OCC(O)=O)C(F)(F)F)C#N
Show InChI InChI=1S/C17H12F3NO3/c1-10-2-3-11(8-21)6-13(10)14-7-12(17(18,19)20)4-5-15(14)24-9-16(22)23/h2-7H,9H2,1H3,(H,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344996
PNG
(2-(5'-cyano-2'-fluoro-5-(trifluoromethyl)biphenyl-...)
Show SMILES OC(=O)COc1ccc(cc1-c1cc(ccc1F)C#N)C(F)(F)F
Show InChI InChI=1S/C16H9F4NO3/c17-13-3-1-9(7-21)5-11(13)12-6-10(16(18,19)20)2-4-14(12)24-8-15(22)23/h1-6H,8H2,(H,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312917
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO3S/c25-17-8-4-14(5-9-17)21(15-6-10-18(26)11-7-15)23-28-22(16-2-1-3-19(27)12-16)24(32-23)31-13-20(29)30/h1-12,21H,13H2,(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205626
PNG
(US9255090, 95)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccc1C(F)(F)F
Show InChI InChI=1/C29H25F4NO4/c1-38-26-9-6-16(13-27(35)36)12-21(26)17-7-8-25(30)19-10-11-34(15-23(17)19)28(37)22-14-20(22)18-4-2-3-5-24(18)29(31,32)33/h2-9,12,20,22H,10-11,13-15H2,1H3,(H,35,36)
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n/an/a 0.220n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312910
PNG
(2-(2-(bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-15-3-1-14(2-4-15)22-20(13-21(29)30)31-23(27-22)28(18-9-5-16(25)6-10-18)19-11-7-17(26)8-12-19/h1-12H,13H2,(H,29,30)
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n/an/a 0.240n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312911
PNG
(2-(2-(bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl...)
Show SMILES COc1ccc(cc1)N(c1nc(c(CC(O)=O)s1)-c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H21FN2O4S/c1-31-20-10-6-18(7-11-20)28(19-8-12-21(32-2)13-9-19)25-27-24(22(33-25)15-23(29)30)16-4-3-5-17(26)14-16/h3-14H,15H2,1-2H3,(H,29,30)
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n/an/a 0.260n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205727
PNG
(US9255090, 196)
Show SMILES OC(=O)Cc1ccc(OCC2CC2)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H28FNO5/c30-26-10-9-22(24-14-21(15-28(32)33)8-11-27(24)35-17-20-6-7-20)25-16-31(13-12-23(25)26)29(34)36-18-19-4-2-1-3-5-19/h1-5,8-11,14,20H,6-7,12-13,15-18H2,(H,32,33)
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n/an/a 0.280n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205728
PNG
(US9255090, 197)
Show SMILES CCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H28FNO5/c1-2-14-34-26-11-8-20(16-27(31)32)15-23(26)21-9-10-25(29)22-12-13-30(17-24(21)22)28(33)35-18-19-6-4-3-5-7-19/h3-11,15H,2,12-14,16-18H2,1H3,(H,31,32)
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n/an/a 0.280n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339747
PNG
((S)-2-(2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpi...)
Show SMILES C[C@H]1CN(Cc2cc(ccc2OCC(O)=O)C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H24F4N2O4/c1-15-12-28(8-9-29(15)21(30)10-16-2-5-19(24)6-3-16)13-17-11-18(23(25,26)27)4-7-20(17)33-14-22(31)32/h2-7,11,15H,8-10,12-14H2,1H3,(H,31,32)/t15-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205768
PNG
(US9255090, 237)
Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccc(F)cc1
Show InChI InChI=1S/C30H31F2NO4/c1-4-37-27-15-19(16-29(35)36)5-10-24(27)22-11-12-26(32)23-13-14-33(18-25(22)23)28(34)17-30(2,3)20-6-8-21(31)9-7-20/h5-12,15H,4,13-14,16-18H2,1-3H3,(H,35,36)
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n/an/a 0.300n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205766
PNG
(US9255090, 235)
Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12
Show InChI InChI=1/C29H28FNO5/c1-2-35-27-13-18(14-29(33)34)7-8-23(27)21-9-10-25(30)22-11-12-31(16-24(21)22)28(32)15-19-17-36-26-6-4-3-5-20(19)26/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,33,34)
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n/an/a 0.300n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344992
PNG
(2-(2'-chloro-4'-(ethylsulfonyl)-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3O5S/c1-2-27(24,25)11-4-5-12(14(18)8-11)13-7-10(17(19,20)21)3-6-15(13)26-9-16(22)23/h3-8H,2,9H2,1H3,(H,22,23)
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM154982
PNG
(US9000044, 1)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189192
PNG
(US9169270, 64)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189201
PNG
(US9169270, 73)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM155032
PNG
(US9000044, 51)
Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H22FNO4S/c1-17-21(14-25(29)30)13-20-7-10-22(27)15-24(20)26(17)19-8-11-23(12-9-19)33(31,32)28-16-18-5-3-2-4-6-18/h2-13,15,28H,14,16H2,1H3,(H,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50026419
PNG
(CHEMBL1778628)
Show SMILES OC(=O)COc1ccc(cc1-c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-4-5-14(23-9-15(21)22)13(7-12)11-3-1-2-10(6-11)8-20/h1-7H,9H2,(H,21,22)
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n/an/a<0.400n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344998
PNG
(2-(2'-methyl-4'-(N-methylmethylsulfonamido)-5-(tri...)
Show SMILES CN(c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C18H18F3NO5S/c1-11-8-13(22(2)28(3,25)26)5-6-14(11)15-9-12(18(19,20)21)4-7-16(15)27-10-17(23)24/h4-9H,10H2,1-3H3,(H,23,24)
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189187
PNG
(US9169270, 59)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189195
PNG
(US9169270, 67)
Show SMILES CC(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H23ClN2O5S/c1-12(2)6-8-27-20(26)23-7-5-15-19(29-11-22-15)18(23)14-9-13(21)3-4-16(14)28-10-17(24)25/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,24,25)/t18-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312913
PNG
(2-(2-((4-cyanophenyl)(phenyl)amino)-4-(4-fluorophe...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H16FN3O2S/c25-18-10-8-17(9-11-18)23-21(14-22(29)30)31-24(27-23)28(19-4-2-1-3-5-19)20-12-6-16(15-26)7-13-20/h1-13H,14H2,(H,29,30)
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n/an/a 0.460n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205714
PNG
(US9255090, 183)
Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1cn(C)c2ccccc12
Show InChI InChI=1S/C30H29FN2O4/c1-32-17-20(21-5-3-4-6-27(21)32)8-12-29(34)33-14-13-23-25(18-33)22(10-11-26(23)31)24-9-7-19(16-30(35)36)15-28(24)37-2/h3-7,9-11,15,17H,8,12-14,16,18H2,1-2H3,(H,35,36)
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n/an/a 0.460n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309317
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-fluoropyridi...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccnc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-28-22(18(31-23)12-20(29)30)15-9-10-27-19(26)11-15/h1-11,21H,12H2,(H,29,30)
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n/an/a 0.480n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205730
PNG
(US9255090, 199)
Show SMILES COCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H28FNO6/c1-34-13-14-35-26-10-7-20(16-27(31)32)15-23(26)21-8-9-25(29)22-11-12-30(17-24(21)22)28(33)36-18-19-5-3-2-4-6-19/h2-10,15H,11-14,16-18H2,1H3,(H,31,32)
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n/an/a 0.490n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189196
PNG
(US9169270, 68)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(Cl)ccc1F
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-3-16(25)12(7-13)9-32-22(30)27-6-5-17-21(33-11-26-17)20(27)15-8-14(24)2-4-18(15)31-10-19(28)29/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339748
PNG
(CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205880
PNG
(US9255090, 349)
Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1ccccn1
Show InChI InChI=1S/C27H27FN2O4/c1-2-34-25-15-18(16-27(32)33)6-8-22(25)20-9-10-24(28)21-12-14-30(17-23(20)21)26(31)11-7-19-5-3-4-13-29-19/h3-6,8-10,13,15H,2,7,11-12,14,16-17H2,1H3,(H,32,33)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM155016
PNG
(US9000044, 35)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show InChI InChI=1S/C23H24ClNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189199
PNG
(US9169270, 71)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205719
PNG
(US9255090, 188)
Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccccc1
Show InChI InChI=1S/C29H30FNO4/c1-29(2,20-7-5-4-6-8-20)17-27(32)31-14-13-22-24(18-31)21(11-12-25(22)30)23-10-9-19(16-28(33)34)15-26(23)35-3/h4-12,15H,13-14,16-18H2,1-3H3,(H,33,34)
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n/an/a 0.530n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50357127
PNG
(CHEMBL1917440)
Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1cnccn1
Show InChI InChI=1S/C21H16ClN3O2S/c1-13-21(28-15-7-5-14(22)6-8-15)20-16(17-11-23-9-10-24-17)3-2-4-18(20)25(13)12-19(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor


Bioorg Med Chem Lett 21: 6288-92 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339749
PNG
((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205731
PNG
(US9255090, 200 | US9255090, 201 | US9255090, 359)
Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12
Show InChI InChI=1/C29H28FNO5/c1-35-27-14-18(15-29(33)34)6-7-23(27)21-8-9-25(30)22-10-12-31(17-24(21)22)28(32)16-19-11-13-36-26-5-3-2-4-20(19)26/h2-9,14,19H,10-13,15-17H2,1H3,(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205902
PNG
(US9255090, 371)
Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1cccc(C)n1
Show InChI InChI=1S/C27H27FN2O5/c1-3-34-25-10-7-18(14-26(31)32)13-22(25)20-8-9-24(28)21-11-12-30(15-23(20)21)27(33)35-16-19-6-4-5-17(2)29-19/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,31,32)
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n/an/a 0.600n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM173248
PNG
(US9096595, 51)
Show SMILES OC(=O)Cc1c2CCC(Cn2c2cc(Cl)ccc12)N(CC1CC1)c1ncc(F)cn1
Show InChI InChI=1/C22H22ClFN4O2/c23-14-3-5-17-18(8-21(29)30)19-6-4-16(12-28(19)20(17)7-14)27(11-13-1-2-13)22-25-9-15(24)10-26-22/h3,5,7,9-10,13,16H,1-2,4,6,8,11-12H2,(H,29,30)
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US Patent
n/an/a 0.600n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9096595 (2015)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344988
PNG
(2-(2',5-dichloro-4'-(methylsulfonyl)biphenyl-2-ylo...)
Show SMILES CS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C15H12Cl2O5S/c1-23(20,21)10-3-4-11(13(17)7-10)12-6-9(16)2-5-14(12)22-8-15(18)19/h2-7H,8H2,1H3,(H,18,19)
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205861
PNG
(US9255090, 330)
Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccn1
Show InChI InChI=1/C28H27FN2O4/c1-2-35-26-9-6-17(14-27(32)33)13-21(26)18-7-8-24(29)19-10-12-31(16-23(18)19)28(34)22-15-20(22)25-5-3-4-11-30-25/h3-9,11,13,20,22H,2,10,12,14-16H2,1H3,(H,32,33)
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n/an/a 0.600n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344974
PNG
((R)-2-(3'-cyano-5-(trifluoromethyl)biphenyl-2-ylox...)
Show SMILES C[C@@H](Oc1ccc(cc1-c1cccc(c1)C#N)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H12F3NO3/c1-10(16(22)23)24-15-6-5-13(17(18,19)20)8-14(15)12-4-2-3-11(7-12)9-21/h2-8,10H,1H3,(H,22,23)/t10-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM205763
PNG
(US9255090, 232)
Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COCc2ccccc12
Show InChI InChI=1/C30H30FNO5/c1-2-37-28-13-19(14-30(34)35)7-8-25(28)23-9-10-27(31)24-11-12-32(16-26(23)24)29(33)15-21-18-36-17-20-5-3-4-6-22(20)21/h3-10,13,21H,2,11-12,14-18H2,1H3,(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...


US Patent US9255090 (2016)

More data for this
Ligand-Target Pair
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