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Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with all data for entry = 50028509   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277631
PNG
(2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-d...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277629
PNG
(2-(9-(2,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-15(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-16-4-3-13(22)10-14(16)23/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277577
PNG
(2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.530n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277632
PNG
((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277630
PNG
(2-(1-isopropyl-9-(4-(trifluoromethyl)phenylthio)-7...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H21F3N2O2S/c1-12(2)19-18-16(7-9-26-19)27-10-8-13(11-17(28)29)20(27)21(18)30-15-5-3-14(4-6-15)22(23,24)25/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,28,29)
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0.670n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277575
PNG
(2-(9-(4-chlorophenylthio)-1-isopropyl-7,8-dihydro-...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)19-18-16(7-9-23-19)24-10-8-13(11-17(25)26)20(24)21(18)27-15-5-3-14(22)4-6-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,25,26)
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0.710n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277573
PNG
(2-(1-(cyclopropylmethyl)-9-(3,4-dichlorophenylthio...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-4-3-14(11-16(15)24)29-22-20-17(9-12-1-2-12)25-7-5-18(20)26-8-6-13(21(22)26)10-19(27)28/h3-5,7,11-13H,1-2,6,8-10H2,(H,27,28)
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0.740n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277540
PNG
(2-(1-cyclopropyl-9-(3,4-dichlorophenylthio)-7,8-di...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C21H18Cl2N2O2S/c22-14-4-3-13(10-15(14)23)28-21-18-16(5-7-24-19(18)11-1-2-11)25-8-6-12(20(21)25)9-17(26)27/h3-5,7,10-12H,1-2,6,8-9H2,(H,26,27)
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0.800n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277576
PNG
(2-(10-(3,4-dichlorophenylthio)-1-isopropyl-6,7,8,9...)
Show SMILES CC(C)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)20-19-17(7-8-25-20)26-9-3-4-13(10-18(27)28)21(26)22(19)29-14-5-6-15(23)16(24)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277443
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277538
PNG
(2-(9-(3,4-dichlorophenylthio)-1-ethyl-7,8-dihydro-...)
Show SMILES CCc1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-2-15-18-16(5-7-23-15)24-8-6-11(9-17(25)26)19(24)20(18)27-12-3-4-13(21)14(22)10-12/h3-5,7,10-11H,2,6,8-9H2,1H3,(H,25,26)
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0.910n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277541
PNG
(2-(1-(cyclopropylmethyl)-10-(3,4-dichlorophenylthi...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C23H22Cl2N2O2S/c24-16-6-5-15(12-17(16)25)30-23-21-18(10-13-3-4-13)26-8-7-19(21)27-9-1-2-14(22(23)27)11-20(28)29/h5-8,12-14H,1-4,9-11H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277479
PNG
(2-(9-(3,4-dichlorophenylthio)-1-phenyl-7,8-dihydro...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)-c1ccccc1
Show InChI InChI=1S/C24H18Cl2N2O2S/c25-17-7-6-16(13-18(17)26)31-24-21-19(28-11-9-15(23(24)28)12-20(29)30)8-10-27-22(21)14-4-2-1-3-5-14/h1-8,10,13,15H,9,11-12H2,(H,29,30)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277537
PNG
(2-(10-(3,4-dichlorophenylthio)-1-ethyl-6,7,8,9-tet...)
Show SMILES CCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-2-16-19-17(7-8-24-16)25-9-3-4-12(10-18(26)27)20(25)21(19)28-13-5-6-14(22)15(23)11-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,27)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277574
PNG
(2-(10-(3,4-dichlorophenylthio)-1-propyl-6,7,8,9-te...)
Show SMILES CCCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-2-4-17-20-18(8-9-25-17)26-10-3-5-13(11-19(27)28)21(26)22(20)29-14-6-7-15(23)16(24)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277628
PNG
(2-(9-(2,6-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3c(Cl)cccc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)18-17-15(6-8-24-18)25-9-7-12(10-16(26)27)19(25)21(17)28-20-13(22)4-3-5-14(20)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
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1.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277444
PNG
(2-(10-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)20-17-15(6-7-23-20)24-8-2-3-11(9-16(25)26)18(24)19(17)29-12-4-5-13(21)14(22)10-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277988
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277445
PNG
(2-(9-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-7...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C19H16Cl2N2O4S2/c1-29(26,27)19-16-14(4-6-22-19)23-7-5-10(8-15(24)25)17(23)18(16)28-11-2-3-12(20)13(21)9-11/h2-4,6,9-10H,5,7-8H2,1H3,(H,24,25)
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1.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277939
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(naphthalen-1-ylthio...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc4ccccc34)c12
Show InChI InChI=1S/C24H22N2O4S2/c1-32(29,30)19-11-12-25-24-21(19)23(22-16(14-20(27)28)8-5-13-26(22)24)31-18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,27,28)
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278036
PNG
((+/-)-2-(5-(2,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277940
PNG
((+/-)-2-(5-(2,3-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc(Cl)c3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)14-7-8-23-20-16(14)19(29-13-6-2-5-12(21)17(13)22)18-11(10-15(25)26)4-3-9-24(18)20/h2,5-8,11H,3-4,9-10H2,1H3,(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277446
PNG
(2-(9-(4-chlorophenylthio)-1-(methylsulfonyl)-7,8-d...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H17ClN2O4S2/c1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h2-6,8,11H,7,9-10H2,1H3,(H,23,24)
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2.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278040
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-isopropyl-6,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)15-7-8-25-22-19(15)21(29-14-5-6-16(23)17(24)11-14)20-13(10-18(27)28)4-3-9-26(20)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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2.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277539
PNG
(2-(1-cyclopropyl-10-(3,4-dichlorophenylthio)-6,7,8...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-6-5-14(11-16(15)24)29-22-19-17(7-8-25-20(19)12-3-4-12)26-9-1-2-13(21(22)26)10-18(27)28/h5-8,11-13H,1-4,9-10H2,(H,27,28)
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277989
PNG
((+/-)-2-(5-(4-bromophenylthio)-4-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Br)cc3)c12
Show InChI InChI=1S/C20H19BrN2O4S2/c1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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3.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277991
PNG
((+/-)-2-(5-(2-chloro-4-fluorophenylthio)-4-(methyl...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(F)cc3Cl)c12
Show InChI InChI=1S/C20H18ClFN2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(22)10-13(14)21)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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3.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277990
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(4-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H19F3N2O4S2/c1-32(29,30)15-8-9-25-20-17(15)19(18-12(11-16(27)28)3-2-10-26(18)20)31-14-6-4-13(5-7-14)21(22,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,27,28)
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3.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50278036
PNG
((+/-)-2-(5-(2,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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3.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277941
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O4S2/c1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277938
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(p-tolylthio)-6,7,8,...)
Show SMILES Cc1ccc(Sc2c3C(CC(O)=O)CCCn3c3nccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-13-5-7-15(8-6-13)28-20-18-16(29(2,26)27)9-10-22-21(18)23-11-3-4-14(19(20)23)12-17(24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,24,25)
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6n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277443
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)
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7n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278038
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-(methylthio)-6,7...)
Show SMILES CSc1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O2S2/c1-26-15-8-9-22-20-17(15)19(27-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50278040
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-isopropyl-6,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)15-7-8-25-22-19(15)21(29-14-5-6-16(23)17(24)11-14)20-13(10-18(27)28)4-3-9-26(20)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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14n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277447
PNG
(2-(9-(3,4-dichlorophenylthio)-7,8-dihydro-6H-pyrid...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1cnccc21
Show InChI InChI=1S/C18H14Cl2N2O2S/c19-13-2-1-11(8-14(13)20)25-18-12-9-21-5-3-15(12)22-6-4-10(17(18)22)7-16(23)24/h1-3,5,8-10H,4,6-7H2,(H,23,24)
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14n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278037
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(phenylthio)-6,7,8,9...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccccc3)c12
Show InChI InChI=1S/C20H20N2O4S2/c1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24)
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16n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277940
PNG
((+/-)-2-(5-(2,3-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc(Cl)c3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)14-7-8-23-20-16(14)19(29-13-6-2-5-12(21)17(13)22)18-11(10-15(25)26)4-3-9-24(18)20/h2,5-8,11H,3-4,9-10H2,1H3,(H,25,26)
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18n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277988
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277991
PNG
((+/-)-2-(5-(2-chloro-4-fluorophenylthio)-4-(methyl...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(F)cc3Cl)c12
Show InChI InChI=1S/C20H18ClFN2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(22)10-13(14)21)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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25n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277989
PNG
((+/-)-2-(5-(4-bromophenylthio)-4-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Br)cc3)c12
Show InChI InChI=1S/C20H19BrN2O4S2/c1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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36n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277941
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O4S2/c1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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39n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277939
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(naphthalen-1-ylthio...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc4ccccc34)c12
Show InChI InChI=1S/C24H22N2O4S2/c1-32(29,30)19-11-12-25-24-21(19)23(22-16(14-20(27)28)8-5-13-26(22)24)31-18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,27,28)
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42n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277990
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(4-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H19F3N2O4S2/c1-32(29,30)15-8-9-25-20-17(15)19(18-12(11-16(27)28)3-2-10-26(18)20)31-14-6-4-13(5-7-14)21(22,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,27,28)
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65n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50278038
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-(methylthio)-6,7...)
Show SMILES CSc1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O2S2/c1-26-15-8-9-22-20-17(15)19(27-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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79n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278039
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-methoxy-6,7,8,9-...)
Show SMILES COc1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O3S/c1-26-15-8-9-22-20-17(15)19(27-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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107n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277938
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(p-tolylthio)-6,7,8,...)
Show SMILES Cc1ccc(Sc2c3C(CC(O)=O)CCCn3c3nccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-13-5-7-15(8-6-13)28-20-18-16(29(2,26)27)9-10-22-21(18)23-11-3-4-14(19(20)23)12-17(24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,24,25)
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172n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277631
PNG
(2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-d...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)
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186n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50277632
PNG
((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1
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233n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to CRTH2 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50278039
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-methoxy-6,7,8,9-...)
Show SMILES COc1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H19ClN2O3S/c1-26-15-8-9-22-20-17(15)19(27-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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340n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
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