Compile Data Set for Download or QSAR
Found 97 Enz. Inhib. hit(s) with all data for entry = 50026894
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244702((S)-2-(2-chloro-5-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25ClN2O6/c1-15-24(25(31)18-6-8-19(34-3)9-7-18)20-10-12-23(35-4)29-26(20)30(15)14-17-5-11-21(28)22(13-17)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244556((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m0/s1
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244700((S)-2-(2-fluoro-5-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(O)=O)c2)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25FN2O6/c1-15-24(25(31)18-6-8-19(34-3)9-7-18)20-10-12-23(35-4)29-26(20)30(15)14-17-5-11-21(28)22(13-17)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244701((S)-2-(4-chloro-3-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2Cl)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25ClN2O6/c1-15-24(25(31)17-5-7-19(34-3)8-6-17)21-10-12-23(35-4)29-26(21)30(15)14-18-13-20(9-11-22(18)28)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244699((S)-2-(4-fluoro-3-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2F)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25FN2O6/c1-15-24(25(31)17-5-7-19(34-3)8-6-17)21-10-12-23(35-4)29-26(21)30(15)14-18-13-20(9-11-22(18)28)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244748((S)-2-(2-chloro-5-((3-(4-chlorophenoxy)-6-fluoro-2...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(F)nc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C24H19Cl2FN2O4/c1-13-22(33-17-6-4-16(25)5-7-17)18-8-10-21(27)28-23(18)29(13)12-15-3-9-19(26)20(11-15)32-14(2)24(30)31/h3-11,14H,12H2,1-2H3,(H,30,31)/t14-/m0/s1
Affinity DataIC50: 3nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244750((S)-2-(2-chloro-5-((6-chloro-3-(4-chlorophenoxy)-2...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(Cl)nc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C24H19Cl3N2O4/c1-13-22(33-17-6-4-16(25)5-7-17)18-8-10-21(27)28-23(18)29(13)12-15-3-9-19(26)20(11-15)32-14(2)24(30)31/h3-11,14H,12H2,1-2H3,(H,30,31)/t14-/m0/s1
Affinity DataIC50: 3nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244657((S)-2-(4-fluoro-3-((3-(4-methoxybenzoyl)-2,6-dimet...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2F)c2nc(C)ccc12
Show InChI InChI=1S/C27H25FN2O5/c1-15-5-11-22-24(25(31)18-6-8-20(34-4)9-7-18)16(2)30(26(22)29-15)14-19-13-21(10-12-23(19)28)35-17(3)27(32)33/h5-13,17H,14H2,1-4H3,(H,32,33)/t17-/m0/s1
Affinity DataIC50: 4nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244609((S)-2-(4-fluoro-3-((3-(4-methoxybenzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2F)c2ncccc12
Show InChI InChI=1S/C26H23FN2O5/c1-15-23(24(30)17-6-8-19(33-3)9-7-17)21-5-4-12-28-25(21)29(15)14-18-13-20(10-11-22(18)27)34-16(2)26(31)32/h4-13,16H,14H2,1-3H3,(H,31,32)/t16-/m0/s1
Affinity DataIC50: 5nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244610((S)-2-(2-fluoro-5-((3-(4-methoxybenzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(O)=O)c2)c2ncccc12
Show InChI InChI=1S/C26H23FN2O5/c1-15-23(24(30)18-7-9-19(33-3)10-8-18)20-5-4-12-28-25(20)29(15)14-17-6-11-21(27)22(13-17)34-16(2)26(31)32/h4-13,16H,14H2,1-3H3,(H,31,32)/t16-/m0/s1
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244747((S)-2-(4-chloro-3-((3-(4-chlorophenoxy)-6-fluoro-2...)
Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(F)nc23)c1)C(O)=O
Show InChI InChI=1S/C24H19Cl2FN2O4/c1-13-22(33-17-5-3-16(25)4-6-17)19-8-10-21(27)28-23(19)29(13)12-15-11-18(7-9-20(15)26)32-14(2)24(30)31/h3-11,14H,12H2,1-2H3,(H,30,31)/t14-/m0/s1
Affinity DataIC50: 15nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244656((S)-2-(3-((3-(4-methoxybenzoyl)-2,6-dimethyl-1H-py...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2nc(C)ccc12
Show InChI InChI=1S/C27H26N2O5/c1-16-8-13-23-24(25(30)20-9-11-21(33-4)12-10-20)17(2)29(26(23)28-16)15-19-6-5-7-22(14-19)34-18(3)27(31)32/h5-14,18H,15H2,1-4H3,(H,31,32)/t18-/m0/s1
Affinity DataIC50: 16nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244808((S)-2-(2-chloro-5-((3-(4-chlorophenoxy)-2-methyl-6...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(nc23)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19Cl2F3N2O4/c1-13-22(36-17-6-4-16(26)5-7-17)18-8-10-21(25(28,29)30)31-23(18)32(13)12-15-3-9-19(27)20(11-15)35-14(2)24(33)34/h3-11,14H,12H2,1-2H3,(H,33,34)/t14-/m0/s1
Affinity DataIC50: 22nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244749((S)-2-(5-((3-(4-chlorophenoxy)-6-fluoro-2-methyl-1...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(F)nc23)ccc1F)C(O)=O
Show InChI InChI=1S/C24H19ClF2N2O4/c1-13-22(33-17-6-4-16(25)5-7-17)18-8-10-21(27)28-23(18)29(13)12-15-3-9-19(26)20(11-15)32-14(2)24(30)31/h3-11,14H,12H2,1-2H3,(H,30,31)/t14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244611((S)-2-(4-chloro-3-((3-(4-chlorophenoxy)-2-methyl-1...)
Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(Oc3ccc(Cl)cc3)c3cccnc23)c1)C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O4/c1-14-22(32-18-7-5-17(25)6-8-18)20-4-3-11-27-23(20)28(14)13-16-12-19(9-10-21(16)26)31-15(2)24(29)30/h3-12,15H,13H2,1-2H3,(H,29,30)/t15-/m0/s1
Affinity DataIC50: 25nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244654((S)-2-(3-((3-(4-chlorophenoxy)-2-methyl-1H-pyrrolo...)
Show SMILES C[C@H](Oc1ccc(F)c(Cn2c(C)c(Oc3ccc(Cl)cc3)c3cccnc23)c1)C(O)=O
Show InChI InChI=1S/C24H20ClFN2O4/c1-14-22(32-18-7-5-17(25)6-8-18)20-4-3-11-27-23(20)28(14)13-16-12-19(9-10-21(16)26)31-15(2)24(29)30/h3-12,15H,13H2,1-2H3,(H,29,30)/t15-/m0/s1
Affinity DataIC50: 54nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244608((S)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2ncccc12
Show InChI InChI=1S/C26H24N2O5/c1-16-23(24(29)19-9-11-20(32-3)12-10-19)22-8-5-13-27-25(22)28(16)15-18-6-4-7-21(14-18)33-17(2)26(30)31/h4-14,17H,15H2,1-3H3,(H,30,31)/t17-/m0/s1
Affinity DataIC50: 66nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244655((S)-2-(5-((3-(4-chlorophenoxy)-2-methyl-1H-pyrrolo...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3cccnc23)ccc1F)C(O)=O
Show InChI InChI=1S/C24H20ClFN2O4/c1-14-22(32-18-8-6-17(25)7-9-18)19-4-3-11-27-23(19)28(14)13-16-5-10-20(26)21(12-16)31-15(2)24(29)30/h3-12,15H,13H2,1-2H3,(H,29,30)/t15-/m0/s1
Affinity DataIC50: 106nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetSubstance-K receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 530nMAssay Description:Displacement of radioligand from tachykinin NK2 receptorMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244557((R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@H](C)C(O)=O)c2)c2ncccc12
Show InChI InChI=1S/C26H24N2O5/c1-16-23(24(29)19-9-11-20(32-3)12-10-19)22-8-5-13-27-25(22)28(16)15-18-6-4-7-21(14-18)33-17(2)26(30)31/h4-14,17H,15H2,1-3H3,(H,30,31)/t17-/m1/s1
Affinity DataIC50: 726nMAssay Description:Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 770nMAssay Description:Displacement of radioligand from adrenergic alpha2B receptorMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 837nMAssay Description:Displacement of radioligand from dopamine D3 receptorMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 970nMAssay Description:Displacement of radioligand from SERTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.14E+3nMAssay Description:Displacement of radioligand from 5HT2B receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.22E+3nMAssay Description:Inhibition of prostanoid EP3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.34E+3nMAssay Description:Displacement of radioligand from muscarinic M4 receptorMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.53E+3nMAssay Description:Displacement of radioligand from dopamine D1 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.56E+3nMAssay Description:Displacement of radioligand from muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.64E+3nMAssay Description:Inhibition of 5-LipoxygenaseMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.65E+3nMAssay Description:Displacement of radioligand from adrenergic alpha2A receptorMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.69E+3nMAssay Description:Displacement of radioligand from delta opioid receptorMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 1.86E+3nMAssay Description:Displacement of radioligand from mu opioid receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 2.03E+3nMAssay Description:Displacement of radioligand from TXA2 receptorMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 2.16E+3nMAssay Description:Displacement of radioligand from NETMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 2.24E+3nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of prostanoid FP receptorMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 3.23E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 3.41E+3nMAssay Description:Displacement of radioligand from DATMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 3.48E+3nMAssay Description:Displacement of radioligand from kappa opioid receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 3.55E+3nMAssay Description:Displacement of radioligand from dopamine D2S receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 4.07E+3nMAssay Description:Displacement of radioligand from adrenergic beta-1 receptorMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 4.86E+3nMAssay Description:Displacement of radioligand from adrenergic beta3 receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244556((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m0/s1
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 6.34E+3nMAssay Description:Inhibition of prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244809((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
Affinity DataIC50: 8.45E+3nMAssay Description:Inhibition of prostanoid DP receptorMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244557((R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@H](C)C(O)=O)c2)c2ncccc12
Show InChI InChI=1S/C26H24N2O5/c1-16-23(24(29)19-9-11-20(32-3)12-10-19)22-8-5-13-27-25(22)28(16)15-18-6-4-7-21(14-18)33-17(2)26(30)31/h4-14,17H,15H2,1-3H3,(H,30,31)/t17-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to PPARdeltaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244609((S)-2-(4-fluoro-3-((3-(4-methoxybenzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2F)c2ncccc12
Show InChI InChI=1S/C26H23FN2O5/c1-15-23(24(30)17-6-8-19(33-3)9-7-17)21-5-4-12-28-25(21)29(15)14-18-13-20(10-11-22(18)27)34-16(2)26(31)32/h4-13,16H,14H2,1-3H3,(H,31,32)/t16-/m0/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to PPARdeltaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244610((S)-2-(2-fluoro-5-((3-(4-methoxybenzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(O)=O)c2)c2ncccc12
Show InChI InChI=1S/C26H23FN2O5/c1-15-23(24(30)18-7-9-19(33-3)10-8-18)20-5-4-12-28-25(20)29(15)14-17-6-11-21(27)22(13-17)34-16(2)26(31)32/h4-13,16H,14H2,1-3H3,(H,31,32)/t16-/m0/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to PPARdeltaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50244611((S)-2-(4-chloro-3-((3-(4-chlorophenoxy)-2-methyl-1...)
Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(Oc3ccc(Cl)cc3)c3cccnc23)c1)C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O4/c1-14-22(32-18-7-5-17(25)6-8-18)20-4-3-11-27-23(20)28(14)13-16-12-19(9-10-21(16)26)31-15(2)24(29)30/h3-12,15H,13H2,1-2H3,(H,29,30)/t15-/m0/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to PPARdeltaMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 97 total ) | Next | Last >>
Jump to: