Compile Data Set for Download or QSAR
Found 1376 Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype'
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM263346(US9546162, 4)
Show SMILES OC(=O)c1ccc(CCc2cccc3CCN(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c23)cc1
Show InChI InChI=1S/C26H21F6NO2/c27-25(28,29)21-12-17(13-22(14-21)26(30,31)32)15-33-11-10-19-3-1-2-18(23(19)33)7-4-16-5-8-20(9-6-16)24(34)35/h1-3,5-6,8-9,12-14H,4,7,10-11,15H2,(H,34,35)
Affinity DataKi:  0.300nM EC50:  11nMpH: 7.4Assay Description:Cells were seeded at a density of 5×104 cells per well in Biocoat® Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) an...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179992(US9676720, Example 2)
Show SMILES C\C=C\c1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C29H28N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h2-18H,19-21H2,1H3,(H,31,32)(H,34,35)/b7-2+
Affinity DataKi:  0.530nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179995(US9676720, Example 7)
Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C28H28N4O5S/c1-2-37-25-9-5-7-23(17-25)22-14-12-21(13-15-22)19-32(38(35,36)27-11-3-4-16-29-27)20-24-8-6-10-26(31-24)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  0.610nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM50101830((Z)-7-{(1R,2R,3R,5R)-5-Chloro-2-[(E)-(S)-4-(1-ethy...)
Show SMILES CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H35ClO4/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,18-,19-,20+/m1/s1
Affinity DataKi:  0.740nMAssay Description:Compound was evaluated for its competitive binding affinity towards human Prostanoid EP2 receptor in CHO cells expressing prostanoid receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179994(US9676720, Example 6)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C29H26N4O4S/c1-2-6-22-7-3-8-25(17-22)24-14-12-23(13-15-24)20-33(38(36,37)27-10-5-16-30-18-27)21-26-9-4-11-28(32-26)31-19-29(34)35/h3-5,7-18H,19-21H2,1H3,(H,31,32)(H,34,35)
Affinity DataKi:  0.75nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180045(US9676720, Comparative example 16)
Show SMILES CC#Cc1ccccc1-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C29H26N4O4S/c1-2-8-23-9-3-4-11-26(23)24-16-14-22(15-17-24)20-33(38(36,37)28-13-5-6-18-30-28)21-25-10-7-12-27(32-25)31-19-29(34)35/h3-7,9-18H,19-21H2,1H3,(H,31,32)(H,34,35)
Affinity DataKi:  0.75nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179998(US9676720, Example 11)
Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C27H27N3O5S2/c1-2-35-24-8-3-6-22(16-24)21-13-11-20(12-14-21)18-30(37(33,34)27-10-5-15-36-27)19-23-7-4-9-25(29-23)28-17-26(31)32/h3-16H,2,17-19H2,1H3,(H,28,29)(H,31,32)
Affinity DataKi:  0.790nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179993(US9676720, Example 4)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C29H26N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h3-6,8-18H,19-21H2,1H3,(H,31,32)(H,34,35)
Affinity DataKi:  0.800nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179996(US9676720, Example 9)
Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C28H28N4O5S/c1-2-37-25-8-3-6-23(16-25)22-13-11-21(12-14-22)19-32(38(35,36)26-9-5-15-29-17-26)20-24-7-4-10-27(31-24)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  0.800nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180000(US9676720, Example 14)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C28H25N3O4S2/c1-2-6-21-7-3-8-24(17-21)23-14-12-22(13-15-23)19-31(37(34,35)28-11-5-16-36-28)20-25-9-4-10-26(30-25)29-18-27(32)33/h3-5,7-17H,18-20H2,1H3,(H,29,30)(H,32,33)
Affinity DataKi:  0.900nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179999(US9676720, Example 12)
Show SMILES CCOc1cccc(n1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C27H27N5O5S/c1-2-37-25-10-6-8-23(31-25)21-14-12-20(13-15-21)18-32(38(35,36)26-11-3-4-16-28-26)19-22-7-5-9-24(30-22)29-17-27(33)34/h3-16H,2,17-19H2,1H3,(H,29,30)(H,33,34)
Affinity DataKi:  0.940nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180002(US9676720, Example 16)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H27N3O4S/c1-2-8-23-9-6-10-26(19-23)25-17-15-24(16-18-25)21-33(38(36,37)28-12-4-3-5-13-28)22-27-11-7-14-29(32-27)31-20-30(34)35/h3-7,9-19H,20-22H2,1H3,(H,31,32)(H,34,35)
Affinity DataKi:  0.950nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM179997(US9676720, Example 10)
Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H29N3O5S/c1-2-37-26-10-6-8-24(18-26)23-16-14-22(15-17-23)20-32(38(35,36)27-11-4-3-5-12-27)21-25-9-7-13-28(31-25)30-19-29(33)34/h3-18H,2,19-21H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  0.970nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180003(US9676720, Example 18)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccsc2)cc1
Show InChI InChI=1S/C28H25N3O4S2/c1-2-5-21-6-3-7-24(16-21)23-12-10-22(11-13-23)18-31(37(34,35)26-14-15-36-20-26)19-25-8-4-9-27(30-25)29-17-28(32)33/h3-4,6-16,20H,17-19H2,1H3,(H,29,30)(H,32,33)
Affinity DataKi:  0.990nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM35847((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Affinity DataKi:  1nMAssay Description:Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180020(US9676720, Comparative example 8)
Show SMILES CCCc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h3-6,8-18H,2,7,19-21H2,1H3,(H,31,32)(H,34,35)
Affinity DataKi:  1.10nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119438(BDBM119693 | US8685986, 12)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2ccoc2)cc1
Show InChI InChI=1S/C23H18FN3O4/c24-18-7-5-15(6-8-18)19-11-20(17-9-10-31-13-17)26-21(19)23(29)25-12-14-1-3-16(4-2-14)22(28)27-30/h1-11,13,26,30H,12H2,(H,25,29)(H,27,28)
Affinity DataKi:  1.10nM ΔG°:  -52.0kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180024(US9676720, Comparative example 11)
Show SMILES COc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C27H26N4O5S/c1-36-24-8-4-6-22(16-24)21-13-11-20(12-14-21)18-31(37(34,35)26-10-2-3-15-28-26)19-23-7-5-9-25(30-23)29-17-27(32)33/h2-16H,17-19H2,1H3,(H,29,30)(H,32,33)
Affinity DataKi:  1.20nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180019(US9676720, Comparative example 7)
Show SMILES CCc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C28H28N4O4S/c1-2-21-7-5-8-24(17-21)23-14-12-22(13-15-23)19-32(37(35,36)27-11-3-4-16-29-27)20-25-9-6-10-26(31-25)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  1.40nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180004(US9676720, Example 19)
Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C30H26FN3O4S/c1-2-6-22-7-3-8-25(17-22)24-15-13-23(14-16-24)20-34(39(37,38)28-11-4-9-26(31)18-28)21-27-10-5-12-29(33-27)32-19-30(35)36/h3-5,7-18H,19-21H2,1H3,(H,32,33)(H,35,36)
Affinity DataKi:  1.40nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180005(US9676720, Comparative example 1)
Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccn2)n1
Show InChI InChI=1S/C26H24N4O4S/c31-26(32)17-28-24-10-6-9-23(29-24)19-30(35(33,34)25-11-4-5-16-27-25)18-20-12-14-22(15-13-20)21-7-2-1-3-8-21/h1-16H,17-19H2,(H,28,29)(H,31,32)
Affinity DataKi:  1.5nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50385141(CHEMBL2036321)
Show SMILES Cc1ccc(cc1C)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1
Show InChI InChI=1S/C28H30N2O4S2/c1-18-6-7-22(14-19(18)2)21-5-3-4-20(15-21)16-24(31)10-8-23-9-11-26(32)30(23)12-13-35-28-29-25(17-36-28)27(33)34/h3-8,10,14-15,17,23-24,31H,9,11-13,16H2,1-2H3,(H,33,34)/b10-8+/t23-,24+/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119442(US8685986, 17)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H18FN3O4/c24-16-8-6-14(7-9-16)18-12-19(15-4-2-1-3-5-15)26-21(18)23(29)25-13-17-10-11-20(31-17)22(28)27-30/h1-12,26,30H,13H2,(H,25,29)(H,27,28)
Affinity DataKi:  1.5nM ΔG°:  -51.2kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180021(US9676720, Comparative example 9)
Show SMILES CC\C=C\c1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C30H30N4O4S/c1-2-3-8-23-9-6-10-26(19-23)25-16-14-24(15-17-25)21-34(39(37,38)29-13-4-5-18-31-29)22-27-11-7-12-28(33-27)32-20-30(35)36/h3-19H,2,20-22H2,1H3,(H,32,33)(H,35,36)/b8-3+
Affinity DataKi:  1.5nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM50016952(CHEMBL3286796)
Show SMILES O[C@@H](C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O)C1(CC=C)CCC1
Show InChI InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1
Affinity DataKi:  1.70nMAssay Description:Binding affinity to EP2 receptor (unknown origin) by competitive binding assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180022(US9676720, Comparative example 10)
Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2cccc(CC=C)c2)S(=O)(=O)c2ccccn2)n1
Show InChI InChI=1S/C29H28N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h2-6,8-18H,1,7,19-21H2,(H,31,32)(H,34,35)
Affinity DataKi:  1.70nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50366137(CHEMBL1957436)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc(Cl)cc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C26H25ClN2O4S2/c27-20-6-4-18(5-7-20)19-3-1-2-17(14-19)15-22(30)10-8-21-9-11-24(31)29(21)12-13-34-26-28-23(16-35-26)25(32)33/h1-8,10,14,16,21-22,30H,9,11-13,15H2,(H,32,33)/b10-8+/t21-,22+/m0/s1
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50366137(CHEMBL1957436)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc(Cl)cc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C26H25ClN2O4S2/c27-20-6-4-18(5-7-20)19-3-1-2-17(14-19)15-22(30)10-8-21-9-11-24(31)29(21)12-13-34-26-28-23(16-35-26)25(32)33/h1-8,10,14,16,21-22,30H,9,11-13,15H2,(H,32,33)/b10-8+/t21-,22+/m0/s1
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119432(US8685986, 3)
Show SMILES OC(=O)c1[nH]c(cc1-c1ccc(F)cc1)-c1cccs1
Show InChI InChI=1S/C15H10FNO2S/c16-10-5-3-9(4-6-10)11-8-12(13-2-1-7-20-13)17-14(11)15(18)19/h1-8,17H,(H,18,19)
Affinity DataKi:  1.90nM ΔG°:  -50.6kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180025(US9676720, Comparative example 12)
Show SMILES CCCOc1cccc(n1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C28H29N5O5S/c1-2-17-38-26-10-6-8-24(32-26)22-14-12-21(13-15-22)19-33(39(36,37)27-11-3-4-16-29-27)20-23-7-5-9-25(31-23)30-18-28(34)35/h3-16H,2,17-20H2,1H3,(H,30,31)(H,34,35)
Affinity DataKi:  2nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM263347(US9546162, 5)
Show SMILES COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
Affinity DataKi:  2nM EC50:  11nMpH: 7.4Assay Description:HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50385128(CHEMBL2036318)
Show SMILES Cc1ccc(cc1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1
Show InChI InChI=1S/C27H28N2O4S2/c1-18-5-7-20(8-6-18)21-4-2-3-19(15-21)16-23(30)11-9-22-10-12-25(31)29(22)13-14-34-27-28-24(17-35-27)26(32)33/h2-9,11,15,17,22-23,30H,10,12-14,16H2,1H3,(H,32,33)/b11-9+/t22-,23+/m0/s1
Affinity DataKi:  2nMAssay Description:Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM263343(US9546162, 1)
Show SMILES OC(=O)c1ccc(CCc2cccc3CCN(Cc4cccc(F)c4)c23)cc1
Show InChI InChI=1S/C24H22FNO2/c25-22-6-1-3-18(15-22)16-26-14-13-20-5-2-4-19(23(20)26)10-7-17-8-11-21(12-9-17)24(27)28/h1-6,8-9,11-12,15H,7,10,13-14,16H2,(H,27,28)
Affinity DataKi:  2nMpH: 7.4Assay Description:HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50385131(CHEMBL2036322)
Show SMILES O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H26N2O5S2/c31-22(15-18-4-3-6-19(14-18)25-16-20-5-1-2-7-24(20)35-25)10-8-21-9-11-26(32)30(21)12-13-36-28-29-23(17-37-28)27(33)34/h1-8,10,14,16-17,21-22,31H,9,11-13,15H2,(H,33,34)/b10-8+/t21-,22+/m0/s1
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101830((Z)-7-{(1R,2R,3R,5R)-5-Chloro-2-[(E)-(S)-4-(1-ethy...)
Show SMILES CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H35ClO4/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,18-,19-,20+/m1/s1
Affinity DataKi:  2.20nMAssay Description:Binding affinity towards mouse Prostanoid EP2 receptor expressed in CHO cells.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180018(US9676720, Comparative example 6)
Show SMILES Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C27H26N4O4S/c1-20-6-4-7-23(16-20)22-13-11-21(12-14-22)18-31(36(34,35)26-10-2-3-15-28-26)19-24-8-5-9-25(30-24)29-17-27(32)33/h2-16H,17-19H2,1H3,(H,29,30)(H,32,33)
Affinity DataKi:  2.20nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180026(US9676720, Comparative example 13)
Show SMILES CCOc1ccccc1-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1
Show InChI InChI=1S/C28H28N4O5S/c1-2-37-25-10-4-3-9-24(25)22-15-13-21(14-16-22)19-32(38(35,36)27-12-5-6-17-29-27)20-23-8-7-11-26(31-23)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  2.60nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119433(US8685986, 4)
Show SMILES OC(=O)c1[nH]c(cc1-c1ccc(O)cc1)-c1ccoc1
Show InChI InChI=1S/C15H11NO4/c17-11-3-1-9(2-4-11)12-7-13(10-5-6-20-8-10)16-14(12)15(18)19/h1-8,16-17H,(H,18,19)
Affinity DataKi:  2.80nM ΔG°:  -49.6kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50366136(CHEMBL1957435)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C26H26N2O4S2/c29-22(16-18-5-4-8-20(15-18)19-6-2-1-3-7-19)11-9-21-10-12-24(30)28(21)13-14-33-26-27-23(17-34-26)25(31)32/h1-9,11,15,17,21-22,29H,10,12-14,16H2,(H,31,32)/b11-9+/t21-,22+/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360628(CHEMBL1933724)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-2-3-4-5-14(21)8-6-13-7-9-16(22)20(13)10-11-25-18-19-15(12-26-18)17(23)24/h6,8,12-14,21H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t13-,14-/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360628(CHEMBL1933724)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-2-3-4-5-14(21)8-6-13-7-9-16(22)20(13)10-11-25-18-19-15(12-26-18)17(23)24/h6,8,12-14,21H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t13-,14-/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50366136(CHEMBL1957435)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
Show InChI InChI=1S/C26H26N2O4S2/c29-22(16-18-5-4-8-20(15-18)19-6-2-1-3-7-19)11-9-21-10-12-24(30)28(21)13-14-33-26-27-23(17-34-26)25(31)32/h1-9,11,15,17,21-22,29H,10,12-14,16H2,(H,31,32)/b11-9+/t21-,22+/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM263357(US9546162, 15)
Show SMILES COc1cccc(Cn2ccc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C25H23NO3/c1-29-23-7-2-4-19(16-23)17-26-15-14-21-6-3-5-20(24(21)26)11-8-18-9-12-22(13-10-18)25(27)28/h2-7,9-10,12-16H,8,11,17H2,1H3,(H,27,28)
Affinity DataKi:  3nM EC50:  11nMpH: 7.4Assay Description:HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119441(US8685986, 16)
Show SMILES COc1ccc(cc1)-c1cc([nH]c1C(=O)Nc1ccc(o1)C(=O)NO)-c1ccccc1
Show InChI InChI=1S/C23H19N3O5/c1-30-16-9-7-14(8-10-16)17-13-18(15-5-3-2-4-6-15)24-21(17)23(28)25-20-12-11-19(31-20)22(27)26-29/h2-13,24,29H,1H3,(H,25,28)(H,26,27)
Affinity DataKi:  3.10nM ΔG°:  -49.4kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180038(US9676720, Comparative example 15)
Show SMILES CCOc1cc(ccn1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H28N4O5S/c1-2-37-27-17-23(15-16-29-27)22-13-11-21(12-14-22)19-32(38(35,36)25-8-4-3-5-9-25)20-24-7-6-10-26(31-24)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)
Affinity DataKi:  3.20nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM50101830((Z)-7-{(1R,2R,3R,5R)-5-Chloro-2-[(E)-(S)-4-(1-ethy...)
Show SMILES CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H35ClO4/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,18-,19-,20+/m1/s1
Affinity DataKi:  3.30nMAssay Description:Binding affinity to EP2 receptor (unknown origin) by competitive binding assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119437(US8685986, 11)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2cccs2)nc1
Show InChI InChI=1S/C22H17FN4O3S/c23-15-6-3-13(4-7-15)17-10-18(19-2-1-9-31-19)26-20(17)22(29)25-12-16-8-5-14(11-24-16)21(28)27-30/h1-11,26,30H,12H2,(H,25,29)(H,27,28)
Affinity DataKi:  3.80nM ΔG°:  -48.9kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119435(US8685986, 6)
Show SMILES COC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2cccs2)nc1
Show InChI InChI=1S/C23H18FN3O3S/c1-30-23(29)15-6-9-17(25-12-15)13-26-22(28)21-18(14-4-7-16(24)8-5-14)11-19(27-21)20-3-2-10-31-20/h2-12,27H,13H2,1H3,(H,26,28)
Affinity DataKi:  3.80nM ΔG°:  -48.9kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM180006(US9676720, Comparative example 2)
Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)c2cccnc2)n1
Show InChI InChI=1S/C26H24N4O4S/c31-26(32)17-28-25-10-4-8-23(29-25)19-30(35(33,34)24-9-5-15-27-16-24)18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-16H,17-19H2,(H,28,29)(H,31,32)
Affinity DataKi:  3.80nMpH: 6.0Assay Description:Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM119436(US8685986, 9)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(O)cc2)-c2ccoc2)cc1
Show InChI InChI=1S/C23H19N3O5/c27-18-7-5-15(6-8-18)19-11-20(17-9-10-31-13-17)25-21(19)23(29)24-12-14-1-3-16(4-2-14)22(28)26-30/h1-11,13,25,27,30H,12H2,(H,24,29)(H,26,28)
Affinity DataKi:  4.40nM ΔG°:  -48.5kJ/molepH: 6.0 T: 2°CAssay Description:Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...More data for this Ligand-Target Pair
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