Compile Data Set for Download or QSAR
Found 1214 with Last Name = 'slipetz' and Initial = 'd'
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277668((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
Affinity DataKi:  0.320nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277631(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)
Affinity DataKi:  0.390nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277629(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)
Affinity DataKi:  0.390nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50067735((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
Affinity DataKi:  0.490nMAssay Description:Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277577(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)
Affinity DataKi:  0.530nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205275(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
Affinity DataKi:  0.570nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50161746((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
Affinity DataKi:  0.580nMAssay Description:Binding affinity to thromboxane receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287934((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
Affinity DataKi:  0.580nMAssay Description:Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193922(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
Affinity DataKi:  0.600nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193920(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
Affinity DataKi:  0.600nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277632((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
Affinity DataKi:  0.640nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277630(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)
Affinity DataKi:  0.670nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193935(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
Affinity DataKi:  0.700nMAssay Description:Binding affinity to EP3 receptor in presence of HSAMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277575(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)
Affinity DataKi:  0.710nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277573(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)
Affinity DataKi:  0.740nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277540(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)
Affinity DataKi:  0.800nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50067735((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
Affinity DataKi:  0.830nMAssay Description:Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205274(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
Affinity DataKi:  0.840nMAssay Description:Binding affinity to human TP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277443((+/-)-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)
Affinity DataKi:  0.880nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277576(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)
Affinity DataKi:  0.880nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193935(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
Affinity DataKi:  0.900nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277538(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)
Affinity DataKi:  0.910nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184222(2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(me...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4ccc(Cl)cc4n3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30)
Affinity DataKi:  1nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277479(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)
Affinity DataKi:  1nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277541(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)
Affinity DataKi:  1nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277537(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)
Affinity DataKi:  1nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184241(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
Affinity DataKi:  1nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333841((R)-2-(3,4-difluoro-7-(4-fluoro-N-methylphenylsulf...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H19F3N2O4S/c1-25(31(29,30)14-5-2-12(22)3-6-14)13-4-9-18-16(10-19(27)28)15-7-8-17(23)20(24)21(15)26(18)11-13/h2-3,5-8,13H,4,9-11H2,1H3,(H,27,28)/t13-/m1/s1
Affinity DataKi:  1nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277574(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)
Affinity DataKi:  1.10nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333869((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205276(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333868((R)-2-(3-fluoro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)16-6-2-13(22)3-7-16)15-5-9-19-18(11-21(26)27)17-8-4-14(23)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277628(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)
Affinity DataKi:  1.20nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50125405((R)-5-((E)-(S)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[6...)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19+/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277444(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)
Affinity DataKi:  1.30nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193921(3-(2-(naphthalen-2-ylmethyl)phenyl)-N-(thiophen-2-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H19NO3S2/c26-23(25-30(27,28)24-10-5-15-29-24)14-13-20-7-2-4-9-22(20)17-18-11-12-19-6-1-3-8-21(19)16-18/h1-16H,17H2,(H,25,26)/b14-13+
Affinity DataKi:  1.30nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277988((+/-)-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)
Affinity DataKi:  1.30nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333850((R)-2-(7-(4-fluoro-N-(4-fluorobenzyl)phenylsulfona...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H24F2N2O4S/c28-19-7-5-18(6-8-19)16-31(36(34,35)22-12-9-20(29)10-13-22)21-11-14-26-24(15-27(32)33)23-3-1-2-4-25(23)30(26)17-21/h1-10,12-13,21H,11,14-17H2,(H,32,33)/t21-/m1/s1
Affinity DataKi:  1.40nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277445(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)
Affinity DataKi:  1.40nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205274(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
Affinity DataKi:  1.5nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50161745(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
Affinity DataKi:  1.5nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50277939((+/-)-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)
Affinity DataKi:  1.60nMAssay Description:Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193918(3-(2-((E)-3-(4-(benzyloxy)-3-methoxyphenyl)prop-1-...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-10,12-21H,11,22H2,1H3,(H,31,32)/b14-7+,19-17+
Affinity DataKi:  1.60nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333844((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50333848((R)-2-(7-(4-fluoro-N-pentylphenylsulfonamido)-6,7,...)
Show SMILES CCCCCN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN2O4S/c1-2-3-6-15-28(33(31,32)20-12-9-18(26)10-13-20)19-11-14-24-22(16-25(29)30)21-7-4-5-8-23(21)27(24)17-19/h4-5,7-10,12-13,19H,2-3,6,11,14-17H2,1H3,(H,29,30)/t19-/m1/s1
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50193938(3-(2-(4-(benzyloxy)-3-methoxycinnamyl)phenyl)-N-(t...)
Show SMILES COc1cc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b11-7+,19-17+
Affinity DataKi:  1.60nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184236(2-(4-(4-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-2-5-14(23)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184213(2-(9-(4-chlorobenzyl)-8-isopropyl-2,3,4,9-tetrahyd...)
Show SMILES CC(C)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C24H26ClNO2/c1-15(2)19-6-4-8-21-20-7-3-5-17(13-22(27)28)23(20)26(24(19)21)14-16-9-11-18(25)12-10-16/h4,6,8-12,15,17H,3,5,7,13-14H2,1-2H3,(H,27,28)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184230(2-((R)-9-(4-chlorobenzyl)-8-((S)-methylsulfinyl)-2...)
Show SMILES C[S@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28+/m1/s1
Affinity DataKi:  1.70nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184215(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21
Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
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