Compile Data Set for Download or QSAR
Found 9 Enz. Inhib. hit(s) with all data for entry = 6248
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119448(US8686018, 107)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
Affinity DataKi:  8nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119450(US8686018, 109)
Show SMILES Cn1nc(C(F)F)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F5N3O4/c1-31-20(35-15-4-2-3-14(11-15)23(26,27)28)16(17(30-31)18(24)25)19(32)29-22(9-10-22)13-7-5-12(6-8-13)21(33)34/h2-8,11,18H,9-10H2,1H3,(H,29,32)(H,33,34)
Affinity DataKi:  8nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119451(US8686018, 110)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(OC(F)F)c1)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F4N3O5/c1-11(12-6-8-13(9-7-12)21(31)32)27-19(30)16-17(18(23)24)28-29(2)20(16)33-14-4-3-5-15(10-14)34-22(25)26/h3-11,18,22H,1-2H3,(H,27,30)(H,31,32)/t11-/m0/s1
Affinity DataKi:  10nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119449(US8686018, 108)
Show SMILES C[C@H](NC(=O)c1c(Oc2ccc(Cl)c(Cl)c2)n(C)nc1C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2F3N3O4/c1-10(11-3-5-12(6-4-11)20(31)32)27-18(30)16-17(21(24,25)26)28-29(2)19(16)33-13-7-8-14(22)15(23)9-13/h3-10H,1-2H3,(H,27,30)(H,31,32)/t10-/m0/s1
Affinity DataKi:  13nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119444(US8686018, 103)
Show SMILES C[C@H](NC(=O)c1c(C)nn(C)c1Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H20F3N3O4/c1-12(14-7-9-15(10-8-14)21(30)31)26-19(29)18-13(2)27-28(3)20(18)32-17-6-4-5-16(11-17)22(23,24)25/h4-12H,1-3H3,(H,26,29)(H,30,31)/t12-/m0/s1
Affinity DataKi:  14nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119446(US8686018, 105)
Show SMILES Cn1nc(c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Oc1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F6N3O4/c1-32-19(36-15-4-2-3-14(11-15)22(24,25)26)16(17(31-32)23(27,28)29)18(33)30-21(9-10-21)13-7-5-12(6-8-13)20(34)35/h2-8,11H,9-10H2,1H3,(H,30,33)(H,34,35)
Affinity DataKi:  16nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119452(US8686018, 111)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)F)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F4N3O4/c1-11(12-6-8-13(9-7-12)22(31)32)27-20(30)16-17(19(25)26)28-29(2)21(16)33-15-5-3-4-14(10-15)18(23)24/h3-11,18-19H,1-2H3,(H,27,30)(H,31,32)/t11-/m0/s1
Affinity DataKi:  26nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119445(US8686018, 104)
Show SMILES Cc1nn(C)c(Oc2cccc(c2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-13-18(19(30)27-22(10-11-22)15-8-6-14(7-9-15)21(31)32)20(29(2)28-13)33-17-5-3-4-16(12-17)23(24,25)26/h3-9,12H,10-11H2,1-2H3,(H,27,30)(H,31,32)
Affinity DataKi:  43nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Eisai R&D Management Co., Ltd

US Patent
LigandPNGBDBM119447(US8686018, 106)
Show SMILES C[C@H](NC(=O)c1c(Oc2cccc(Cl)c2)n(C)nc1C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18ClF2N3O4/c1-11(12-6-8-13(9-7-12)21(29)30)25-19(28)16-17(18(23)24)26-27(2)20(16)31-15-5-3-4-14(22)10-15/h3-11,18H,1-2H3,(H,25,28)(H,29,30)/t11-/m0/s1
Affinity DataKi:  50nMpH: 7.4Assay Description:The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...More data for this Ligand-Target Pair