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Compile Data Set for Download or QSAR

Found 418 hits with Last Name = 'janz' and Initial = 'k'   
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))
BDBM50006915
PNG
(CHEMBL3236929)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H19F3N2O3/c1-14-18(19-10-17(25)6-7-21(19)29(14)13-23(31)32)9-15-5-8-22(30)28(11-15)12-16-3-2-4-20(26)24(16)27/h2-8,10-11H,9,12-13H2,1H3,(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401116
PNG
(CHEMBL2204474)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cc(F)c(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H17F4N3O3/c1-12-16(17-7-14(24)2-4-21(17)29(12)11-23(32)33)8-15-3-5-22(31)30(28-15)10-13-6-19(26)20(27)9-18(13)25/h2-7,9H,8,10-11H2,1H3,(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006823
PNG
(CHEMBL3236950)
Show SMILES Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(20.58,-56.23,;19.11,-56.7,;17.87,-55.8,;17.87,-54.26,;19.21,-53.49,;19.21,-51.95,;20.54,-51.18,;21.88,-51.96,;23.21,-51.19,;24.55,-51.96,;25.88,-51.19,;24.55,-53.5,;26.03,-52.36,;17.87,-51.18,;17.87,-49.64,;16.54,-51.96,;15.21,-51.19,;13.88,-51.96,;13.89,-53.5,;15.22,-54.26,;16.54,-53.49,;16.62,-56.71,;15.12,-56.39,;14.1,-57.53,;12.59,-57.21,;14.57,-58.99,;16.07,-59.3,;17.09,-58.17,;18.63,-58.17,;19.54,-59.42,;21.07,-59.26,;21.7,-57.85,;21.98,-60.5,)|
Show InChI InChI=1S/C24H20F4N2O3/c1-14-22(18-11-15(25)7-8-20(18)30(14)13-21(31)32)19-12-29(10-4-9-24(26,27)28)23(33)17-6-3-2-5-16(17)19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21922
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2H...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C18H11Cl2FN8/c19-13-4-10(1-2-15(13)21)25-17-9(6-22)7-24-18-12(17)3-11(5-14(18)20)23-8-16-26-28-29-27-16/h1-5,7,23H,8H2,(H,24,25)(H,26,27,28,29)
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n/an/a 2n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173838
PNG
(4-(4-benzylphenylamino)-6-(2-morpholinoethylamino)...)
Show SMILES N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C28H28N6O/c29-18-23-19-31-26-20-32-27(30-10-11-34-12-14-35-15-13-34)17-25(26)28(23)33-24-8-6-22(7-9-24)16-21-4-2-1-3-5-21/h1-9,17,19-20H,10-16H2,(H,30,32)(H,31,33)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation


Bioorg Med Chem Lett 15: 5288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.029
BindingDB Entry DOI: 10.7270/Q2JS9Q0M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006891
PNG
(CHEMBL3236958)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cc(F)ccc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-9-16(25)3-6-21(19)28(13)12-23(31)32)10-17-4-7-22(30)29(27-17)11-14-8-15(24)2-5-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401108
PNG
(CHEMBL2205148)
Show SMILES Cc1c(-c2nn(CCOc3ccc(Cl)cc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O |(7.71,-8.01,;6.17,-8.01,;5.26,-6.75,;6.03,-5.43,;7.57,-5.44,;8.35,-4.11,;9.89,-4.11,;10.65,-5.45,;12.19,-5.46,;12.96,-6.8,;12.18,-8.12,;12.94,-9.46,;14.48,-9.46,;15.25,-10.8,;15.26,-8.13,;14.49,-6.79,;7.58,-2.77,;8.36,-1.44,;6.04,-2.76,;5.27,-1.43,;3.73,-1.43,;2.96,-2.77,;3.73,-4.1,;5.27,-4.1,;3.78,-7.23,;2.45,-6.47,;1.12,-7.24,;-.22,-6.47,;1.12,-8.79,;2.45,-9.56,;3.78,-8.79,;5.26,-9.26,;5.73,-10.73,;4.7,-11.87,;3.19,-11.56,;5.18,-13.34,)|
Show InChI InChI=1S/C27H21Cl2N3O4/c1-16-25(22-14-18(29)8-11-23(22)31(16)15-24(33)34)26-20-4-2-3-5-21(20)27(35)32(30-26)12-13-36-19-9-6-17(28)7-10-19/h2-11,14H,12-13,15H2,1H3,(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006823
PNG
(CHEMBL3236950)
Show SMILES Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(20.58,-56.23,;19.11,-56.7,;17.87,-55.8,;17.87,-54.26,;19.21,-53.49,;19.21,-51.95,;20.54,-51.18,;21.88,-51.96,;23.21,-51.19,;24.55,-51.96,;25.88,-51.19,;24.55,-53.5,;26.03,-52.36,;17.87,-51.18,;17.87,-49.64,;16.54,-51.96,;15.21,-51.19,;13.88,-51.96,;13.89,-53.5,;15.22,-54.26,;16.54,-53.49,;16.62,-56.71,;15.12,-56.39,;14.1,-57.53,;12.59,-57.21,;14.57,-58.99,;16.07,-59.3,;17.09,-58.17,;18.63,-58.17,;19.54,-59.42,;21.07,-59.26,;21.7,-57.85,;21.98,-60.5,)|
Show InChI InChI=1S/C24H20F4N2O3/c1-14-22(18-11-15(25)7-8-20(18)30(14)13-21(31)32)19-12-29(10-4-9-24(26,27)28)23(33)17-6-3-2-5-16(17)19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,31,32)
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n/an/a 3n/an/an/an/an/a25



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006818
PNG
(CHEMBL3236951)
Show SMILES Cc1c(-c2cn(CC(C)(C)C)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(34.69,-56,;33.23,-56.48,;31.99,-55.57,;31.99,-54.03,;33.32,-53.27,;33.33,-51.73,;34.66,-50.96,;36,-51.73,;35.99,-53.27,;37.33,-50.96,;37.32,-52.49,;31.99,-50.95,;31.99,-49.41,;30.66,-51.73,;29.33,-50.97,;28,-51.74,;28.01,-53.28,;29.33,-54.04,;30.66,-53.27,;30.74,-56.48,;29.24,-56.16,;28.21,-57.3,;26.7,-56.98,;28.69,-58.76,;30.19,-59.08,;31.21,-57.94,;32.75,-57.94,;33.66,-59.19,;35.19,-59.03,;35.82,-57.62,;36.09,-60.28,)|
Show InChI InChI=1S/C25H25FN2O3/c1-15-23(19-11-16(26)9-10-21(19)28(15)13-22(29)30)20-12-27(14-25(2,3)4)24(31)18-8-6-5-7-17(18)20/h5-12H,13-14H2,1-4H3,(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50194988
PNG
(4-(3-chloro-4-fluorophenylamino)-6-((1,5-dimethyl-...)
Show SMILES Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1C
Show InChI InChI=1S/C22H18ClFN6/c1-13-21(28-12-30(13)2)11-26-15-4-6-20-17(7-15)22(14(9-25)10-27-20)29-16-3-5-19(24)18(23)8-16/h3-8,10,12,26H,11H2,1-2H3,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50194998
PNG
(4-(3-chloro-4-fluorophenylamino)-6-((5-methyl-1H-i...)
Show SMILES Cc1nc[nH]c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C21H16ClFN6/c1-12-20(28-11-27-12)10-25-14-3-5-19-16(6-14)21(13(8-24)9-26-19)29-15-2-4-18(23)17(22)7-15/h2-7,9,11,25H,10H2,1H3,(H,26,29)(H,27,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006899
PNG
(CHEMBL3237239)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H19F2N3O3/c1-14-18(19-10-16(24)6-8-21(19)27(14)13-23(30)31)11-17-7-9-22(29)28(26-17)12-15-4-2-3-5-20(15)25/h2-10H,11-13H2,1H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006894
PNG
(CHEMBL3236955)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H20F2N2O3/c1-15-20(21-11-19(26)7-8-22(21)28(15)14-24(30)31)10-17-4-9-23(29)27(13-17)12-16-2-5-18(25)6-3-16/h2-9,11,13H,10,12,14H2,1H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006880
PNG
(CHEMBL3236960)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H19F3N2O3/c1-14-19(20-9-17(25)5-6-22(20)29(14)13-24(31)32)8-15-2-7-23(30)28(11-15)12-16-3-4-18(26)10-21(16)27/h2-7,9-11H,8,12-13H2,1H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401120
PNG
(CHEMBL2204470)
Show SMILES Cc1c(CC2=NN(Cc3ccc(F)cc3F)C(=O)CC2)c2cc(F)ccc2n1CC(O)=O |t:4|
Show InChI InChI=1S/C23H20F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006896
PNG
(CHEMBL3237242)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H20F2N2O3/c1-15-20(21-11-19(26)6-7-22(21)28(15)14-24(30)31)10-17-5-8-23(29)27(13-17)12-16-3-2-4-18(25)9-16/h2-9,11,13H,10,12,14H2,1H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006827
PNG
(CHEMBL3236949)
Show SMILES Cc1c(-c2cn(CC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(7.05,-54.88,;5.58,-55.35,;4.34,-54.45,;4.34,-52.9,;5.68,-52.13,;5.68,-50.59,;7.02,-49.82,;8.36,-50.59,;8.36,-52.14,;9.7,-49.82,;9.45,-51.68,;4.34,-49.81,;4.34,-48.27,;3,-50.6,;1.67,-49.83,;.34,-50.6,;.35,-52.15,;1.68,-52.91,;3,-52.14,;3.09,-55.36,;1.58,-55.04,;.55,-56.18,;-.96,-55.86,;1.03,-57.65,;2.53,-57.96,;3.56,-56.82,;5.1,-56.82,;6.01,-58.08,;7.55,-57.92,;8.18,-56.5,;8.46,-59.17,)|
Show InChI InChI=1S/C22H16F4N2O3/c1-12-20(16-8-13(23)6-7-18(16)28(12)10-19(29)30)17-9-27(11-22(24,25)26)21(31)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,29,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201921
PNG
(2-Biphenyl-4-yl-6-fluoro-3-hydroxy-quinoline-4-car...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006870
PNG
(CHEMBL3237230)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H19FN2O3/c1-15-23(19-11-18(24)8-9-20(19)26(15)14-22(28)29)17-7-10-21(27)25(13-17)12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,28,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401118
PNG
(CHEMBL2204472)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(cc3)C(C)(C)O)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C26H26FN3O4/c1-16-21(22-12-19(27)8-10-23(22)29(16)15-25(32)33)13-20-9-11-24(31)30(28-20)14-17-4-6-18(7-5-17)26(2,3)34/h4-12,34H,13-15H2,1-3H3,(H,32,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006893
PNG
(CHEMBL3236956)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3c(F)cccc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-16(17-9-14(24)5-7-21(17)28(13)12-23(31)32)10-15-6-8-22(30)29(27-15)11-18-19(25)3-2-4-20(18)26/h2-9H,10-12H2,1H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173833
PNG
(6-(2-morpholinoethylamino)-4-(4-(phenylthio)phenyl...)
Show SMILES N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C27H26N6OS/c28-17-20-18-30-25-19-31-26(29-10-11-33-12-14-34-15-13-33)16-24(25)27(20)32-21-6-8-23(9-7-21)35-22-4-2-1-3-5-22/h1-9,16,18-19H,10-15H2,(H,29,31)(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation


Bioorg Med Chem Lett 15: 5288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.029
BindingDB Entry DOI: 10.7270/Q2JS9Q0M
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201923
PNG
(3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-quinoline-4...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H15NO4/c24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20-21(25)19(22(26)27)17-3-1-2-4-18(17)23-20/h1-12,24-25H,(H,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201945
PNG
(6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401117
PNG
(CHEMBL2204473)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccncc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H18F2N4O3/c1-13-17(18-8-15(23)2-4-20(18)27(13)12-22(30)31)9-16-3-5-21(29)28(26-16)11-14-6-7-25-10-19(14)24/h2-8,10H,9,11-12H2,1H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006865
PNG
(CHEMBL3237233)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H17F3N2O3/c1-13-23(16-9-15(24)6-7-20(16)28(13)12-22(30)31)14-5-8-21(29)27(10-14)11-17-18(25)3-2-4-19(17)26/h2-10H,11-12H2,1H3,(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006866
PNG
(CHEMBL3237232)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F2N2O3/c1-14-23(19-10-18(25)7-8-20(19)27(14)13-22(29)30)16-4-9-21(28)26(12-16)11-15-2-5-17(24)6-3-15/h2-10,12H,11,13H2,1H3,(H,29,30)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006895
PNG
(CHEMBL3237243)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H19F2N3O3/c1-14-19(20-10-17(25)6-8-21(20)27(14)13-23(30)31)11-18-7-9-22(29)28(26-18)12-15-2-4-16(24)5-3-15/h2-10H,11-13H2,1H3,(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201905
PNG
(3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxyli...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201919
PNG
(6-fluoro-3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-qu...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H14FNO4/c23-15-7-10-18-17(11-15)19(22(27)28)21(26)20(24-18)14-3-1-12(2-4-14)13-5-8-16(25)9-6-13/h1-11,25-26H,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006892
PNG
(CHEMBL3236957)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H19F3N2O3/c1-14-17(18-10-16(25)6-7-22(18)29(14)13-24(31)32)9-15-5-8-23(30)28(11-15)12-19-20(26)3-2-4-21(19)27/h2-8,10-11H,9,12-13H2,1H3,(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401111
PNG
(CHEMBL2204479)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C26H20F7N3O4/c1-14-19(20-10-17(27)6-8-21(20)35(14)13-23(38)39)11-18-7-9-22(37)36(34-18)12-15-2-4-16(5-3-15)24(40,25(28,29)30)26(31,32)33/h2-10,40H,11-13H2,1H3,(H,38,39)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201925
PNG
(2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARB...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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n/an/a 8n/an/an/an/an/a25



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006890
PNG
(CHEMBL3236959)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cc(F)ccc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H19F3N2O3/c1-14-19(20-10-18(26)4-6-22(20)29(14)13-24(31)32)8-15-2-7-23(30)28(11-15)12-16-9-17(25)3-5-21(16)27/h2-7,9-11H,8,12-13H2,1H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006918
PNG
(CHEMBL3236945)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(Cl)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H17ClF2N2O3/c1-13-23(16-9-15(24)6-7-20(16)28(13)12-22(30)31)14-5-8-21(29)27(10-14)11-17-18(25)3-2-4-19(17)26/h2-10H,11-12H2,1H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006898
PNG
(CHEMBL3237240)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H20F2N2O3/c1-15-19(20-11-18(25)7-8-22(20)28(15)14-24(30)31)10-16-6-9-23(29)27(12-16)13-17-4-2-3-5-21(17)26/h2-9,11-12H,10,13-14H2,1H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006897
PNG
(CHEMBL3237241)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H19F2N3O3/c1-14-19(20-10-17(25)5-7-21(20)27(14)13-23(30)31)11-18-6-8-22(29)28(26-18)12-15-3-2-4-16(24)9-15/h2-10H,11-13H2,1H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401122
PNG
(CHEMBL2205146)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H20FN3O3/c1-15-19(20-11-17(24)7-9-21(20)26(15)14-23(29)30)12-18-8-10-22(28)27(25-18)13-16-5-3-2-4-6-16/h2-11H,12-14H2,1H3,(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201949
PNG
(2-biphenyl-4-yl-3-hydroxy-quinoline-4-carboxylic a...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H15NO3/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,24H,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401119
PNG
(CHEMBL2204471)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H16F3N3O3/c1-12-22(16-8-14(23)4-6-19(16)27(12)11-21(30)31)18-5-7-20(29)28(26-18)10-13-2-3-15(24)9-17(13)25/h2-9H,10-11H2,1H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
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