Compile Data Set for Download or QSAR
Found 739 with Last Name = 'kargman' and Initial = 's'
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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 Canada & Co.

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 Canada & Co.

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 Canada & Co.

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(Homo sapiens (Human))
Merck Frosst Canada & Co.

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(Homo sapiens (Human))
Merck Frosst Canada & Co.

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(Homo sapiens (Human))
Merck Frosst Canada & Co.

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
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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 Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184217(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184217(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184216(2-((R)-9-(4-chlorobenzyl)-8-((R)-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:  1.80nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184225(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)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:  1.90nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184244(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
Affinity DataKi:  2.20nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184228(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21
Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25)
Affinity DataKi:  2.40nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184212((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
Affinity DataKi:  2.60nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184212((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
Affinity DataKi:  2.60nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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:  2.60nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184244(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
Affinity DataKi:  2.60nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184219(2-(4-(4-chlorobenzyl)-5-cyclohexyl-7-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(C2CCCCC2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C27H30ClNO4S/c1-34(32,33)21-14-23(18-5-3-2-4-6-18)27-24(15-21)22-12-9-19(13-25(30)31)26(22)29(27)16-17-7-10-20(28)11-8-17/h7-8,10-11,14-15,18-19H,2-6,9,12-13,16H2,1H3,(H,30,31)
Affinity DataKi:  2.80nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184238(2-(9-(4-chlorobenzyl)-8-(methylsulfinyl)-2,3,4,9-t...)
Show SMILES CS(=O)c1cccc2c3CCCC(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)
Affinity DataKi:  2.80nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

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:  3nMAssay Description:Binding affinity to human TP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160907(5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-18-6-7-21(28-14-15-4-2-1-3-5-15)20(11-18)19-8-9-29-22(19)16-10-17(23(26)27)13-25-12-16/h1-13H,14H2,(H,26,27)
Affinity DataKi:  3nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160912(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
Affinity DataKi:  3nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184235(2-(4-(3-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3cccc(Cl)c3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-6-5-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-3-2-4-14(23)7-12/h2-4,7,9-10,13H,5-6,8,11H2,1H3,(H,25,26)
Affinity DataKi:  3.5nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184220(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-vinyl-1...)
Show SMILES CS(=O)(=O)c1cc(C=C)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C23H22ClNO4S/c1-3-15-10-18(30(2,28)29)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184229(2-(9-(4-chlorobenzyl)-8-(benzylsulfinyl)-2,3,4,9-t...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)S(=O)Cc1ccccc1
Show InChI InChI=1S/C28H26ClNO3S/c29-22-14-12-19(13-15-22)17-30-27-21(16-26(31)32)8-4-9-23(27)24-10-5-11-25(28(24)30)34(33)18-20-6-2-1-3-7-20/h1-3,5-7,10-15,21H,4,8-9,16-18H2,(H,31,32)
Affinity DataKi:  3.90nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184231(2-(9-(4-chlorobenzyl)-8-(ethylsulfinyl)-2,3,4,9-te...)
Show SMILES CCS(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C23H24ClNO3S/c1-2-29(28)20-8-4-7-19-18-6-3-5-16(13-21(26)27)22(18)25(23(19)20)14-15-9-11-17(24)12-10-15/h4,7-12,16H,2-3,5-6,13-14H2,1H3,(H,26,27)
Affinity DataKi:  4nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160917(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)
Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)
Affinity DataKi:  4nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160909(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(O)(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2
Affinity DataKi:  4nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160915(CHEMBL180046 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C31H24ClNO2S/c32-25-14-15-29(35-21-23-10-5-2-6-11-23)28(20-25)27-16-17-36-31(27)24-12-7-13-26(19-24)33-30(34)18-22-8-3-1-4-9-22/h1-17,19-20H,18,21H2,(H,33,34)
Affinity DataKi:  4nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184214(2-(4-(3-(trifluoromethoxy)benzyl)-5-bromo-7-(methy...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3cccc(OC(F)(F)F)c3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C22H19BrF3NO5S/c1-33(30,31)15-9-17-16-6-5-13(8-19(28)29)20(16)27(21(17)18(23)10-15)11-12-3-2-4-14(7-12)32-22(24,25)26/h2-4,7,9-10,13H,5-6,8,11H2,1H3,(H,28,29)
Affinity DataKi:  4.10nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184243(CHEMBL207451 | [5-bromo-4-(4-chloro-benzyl)-7-dime...)
Show SMILES CN(C)S(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C22H22BrClN2O4S/c1-25(2)31(29,30)16-10-18-17-8-5-14(9-20(27)28)21(17)26(22(18)19(23)11-16)12-13-3-6-15(24)7-4-13/h3-4,6-7,10-11,14H,5,8-9,12H2,1-2H3,(H,27,28)
Affinity DataKi:  4.10nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184232(2-(5-bromo-4-((2,3-dichlorothieno[3,2-b]pyridin-5-...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4sc(Cl)c(Cl)c4n3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C22H17BrCl2N2O4S2/c1-33(30,31)12-7-14-13-4-2-10(6-17(28)29)20(13)27(21(14)15(23)8-12)9-11-3-5-16-19(26-11)18(24)22(25)32-16/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,28,29)
Affinity DataKi:  4.40nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184223(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-(thioph...)
Show SMILES CS(=O)(=O)c1cc(-c2cccs2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C25H22ClNO4S2/c1-33(30,31)18-12-20-19-9-6-16(11-23(28)29)24(19)27(14-15-4-7-17(26)8-5-15)25(20)21(13-18)22-3-2-10-32-22/h2-5,7-8,10,12-13,16H,6,9,11,14H2,1H3,(H,28,29)
Affinity DataKi:  4.5nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160915(CHEMBL180046 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C31H24ClNO2S/c32-25-14-15-29(35-21-23-10-5-2-6-11-23)28(20-25)27-16-17-36-31(27)24-12-7-13-26(19-24)33-30(34)18-22-8-3-1-4-9-22/h1-17,19-20H,18,21H2,(H,33,34)
Affinity DataKi:  5nMAssay Description:Binding affinity against Prostaglandin E receptor in presence of 2% human serum albuminMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160909(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(O)(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2
Affinity DataKi:  5nMAssay Description:Binding affinity against Prostaglandin E receptor in presence of 2% human serum albuminMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184225(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)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:  5.10nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160913(6-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cccc(n1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-16-9-10-21(28-14-15-5-2-1-3-6-15)18(13-16)17-11-12-29-22(17)19-7-4-8-20(25-19)23(26)27/h1-13H,14H2,(H,26,27)
Affinity DataKi:  6nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160912(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
Affinity DataKi:  6nMAssay Description:Binding affinity against Prostaglandin E receptor in presence of 2% human serum albuminMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184239(2-(9-(4-chlorobenzyl)-8-formyl-2,3,4,9-tetrahydro-...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C=O)cccc21
Show InChI InChI=1S/C22H20ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,13,15H,1,3,5,11-12H2,(H,26,27)
Affinity DataKi:  6.30nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184239(2-(9-(4-chlorobenzyl)-8-formyl-2,3,4,9-tetrahydro-...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C=O)cccc21
Show InChI InChI=1S/C22H20ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,13,15H,1,3,5,11-12H2,(H,26,27)
Affinity DataKi:  6.60nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM17638(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184224(2-(4-(4-tert-butylbenzyl)-5-bromo-7-(methylsulfony...)
Show SMILES CC(C)(C)c1ccc(Cn2c3C(CC(O)=O)CCc3c3cc(cc(Br)c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C25H28BrNO4S/c1-25(2,3)17-8-5-15(6-9-17)14-27-23-16(11-22(28)29)7-10-19(23)20-12-18(32(4,30)31)13-21(26)24(20)27/h5-6,8-9,12-13,16H,7,10-11,14H2,1-4H3,(H,28,29)
Affinity DataKi:  7.5nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184245(2-(9-(4-chlorobenzyl)-8-(hydroxymethyl)-2,3,4,9-te...)
Show SMILES OCc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,15,25H,1,3,5,11-13H2,(H,26,27)
Affinity DataKi:  7.80nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50410087(CHEMBL2113029)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccsc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27)
Affinity DataKi:  8nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50184234(2-(4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(methyl...)
Show SMILES CC(O)c1cc(cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)
Affinity DataKi:  8.5nMAssay Description:Binding affinity to DP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Canada & Co.

Curated by ChEMBL
LigandPNGBDBM50205278(2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC(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)
Affinity DataKi:  8.90nMAssay Description:Binding affinity to human DP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160914(3-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES CC(NC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H25ClN2O2S/c1-21(25-11-6-15-33-19-25)34-31(35)24-10-5-9-23(17-24)30-27(14-16-37-30)28-18-26(32)12-13-29(28)36-20-22-7-3-2-4-8-22/h2-19,21H,20H2,1H3,(H,34,35)
Affinity DataKi:  9nMAssay Description:Binding affinity against Prostaglandin E receptor was determined in humanMore data for this Ligand-Target Pair
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