Compile Data Set for Download or QSAR
Found 1186 Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP1 subtype'
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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:  0.300nMAssay Description:Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPRMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50419411(CHEMBL1915012)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
Affinity DataKi:  0.398nMAssay Description:Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50376788(CHEMBL257997)
Show SMILES CC(C)Cc1cn(-c2nc(cs2)C([O-])=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H15ClN2O2S/c1-9(2)5-10-7-19(14-6-11(17)3-4-12(10)14)16-18-13(8-22-16)15(20)21/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1
Affinity DataKi:  0.5nMAssay Description:Antagonist activity against human EP1 receptor expressed in CHOK1 cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM85603(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50259548(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
Affinity DataKi:  2.51nMAssay Description:Displacement of [3H]PGE2 from EP1 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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))
GlaxoSmithKline

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 E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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))
GlaxoSmithKline

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 E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50142480((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
Affinity DataKi:  4.5nMAssay Description:Binding affinity was determined against prostanoid EP1 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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))
GlaxoSmithKline

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
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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))
GlaxoSmithKline

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 E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
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:  6nMAssay Description:Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101853((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Affinity DataKi:  6nMAssay Description:Affinity for mouse Prostanoid EP1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
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:  6nMAssay Description:Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50259611(CHEMBL467114 | sodium 6-(5-chloro-2-(4-chloro-2-fl...)
Show SMILES [O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
Show InChI InChI=1S/C20H14Cl2FNO3/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26/h1-8,10H,9,11H2,(H,25,26)/p-1
Affinity DataKi:  7.94nMAssay Description:Antagonist activity at human recombinant EP1 receptor expressed in CHO cells assessed as inhibition of PGE2-mediated intracellular calcium mobilizati...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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 E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50276262(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
Affinity DataKi:  8.70nMAssay Description:Antagonist activity at EP1 receptor (unknown origin) by reporter gene assayMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
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:  9.10nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
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:  9.10nMAssay Description:Displacement of [3H]PGE2 from human EP1 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
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:  9.10nMAssay Description:Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50081444(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
Affinity DataKi:  10nMAssay Description:Affinity at human EP1 receptor.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101848(6-[(1R,2S,3R)-3-Hydroxy-2-((E)-(3S,5S)-3-hydroxy-5...)
Show SMILES CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O
Show InChI InChI=1S/C21H36O5S/c1-3-4-8-15(2)13-16(22)10-11-17-18(23)14-19(24)21(17)27-12-7-5-6-9-20(25)26/h10-11,15-18,21-23H,3-9,12-14H2,1-2H3,(H,25,26)/b11-10+/t15-,16+,17-,18+,21+/m0/s1
Affinity DataKi:  11nMAssay Description:Evaluated for its competitive binding affinity towards mouse Prostanoid EP1 receptor in CHO cells expressing prostanoid receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM23954(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Rattus norvegicus (Rat))
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:  12nMAssay Description:Binding affinity towards Prostaglandin E receptor was determined in ratMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50081440(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
Affinity DataKi:  12nMAssay Description:Affinity at human EP1 receptor.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM85599(CAS_146032-79-3 | SC-51322)
Show SMILES Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCSCc3ccco3)c2c1
Show InChI InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)
Affinity DataKi:  13.8nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM82094(17-PHENYL TRINOR PROSTAGLANDIN E2 | CAS_38315-43-4...)
Show SMILES O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
Affinity DataKi:  14nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50160910(CHEMBL184779 | {3-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H19ClO3S/c26-20-9-10-23(29-16-17-5-2-1-3-6-17)22(15-20)21-11-12-30-25(21)19-8-4-7-18(13-19)14-24(27)28/h1-13,15H,14,16H2,(H,27,28)
Affinity DataKi:  15nMAssay 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))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50081453(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
Affinity DataKi:  16nMAssay Description:Affinity at human EP1 receptor.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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:  17nMAssay 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))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50081439(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
Affinity DataKi:  17nMAssay Description:Affinity at human EP1 receptor.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
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:  18nMAssay Description:Binding affinity to EP1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

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:  18nMAssay 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))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50081445(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
Affinity DataKi:  18nMAssay Description:Affinity at human EP1 receptor.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101822((Z)-7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-o...)
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-/m1/s1
Affinity DataKi:  18nMAssay Description:Binding affinity towards mouse Prostanoid EP1 receptor in CHO cells.More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
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:  20nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM85183(CAS_60325-46-4 | NSC_43251 | SULPROSTONE)
Show SMILES CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O
Show InChI InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM23954(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101853((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Affinity DataKi:  22nMAssay Description:Affinity for mouse Prostanoid EP4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101853((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Affinity DataKi:  22nMAssay Description:Evaluated for its competitive binding affinity towards mouse Prostanoid EP1 receptor in CHO cells expressing prostanoid receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50160908(CHEMBL182623 | {5-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(C#N)c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClN2O2S/c25-19-6-7-23(29-15-16-4-2-1-3-5-16)21(11-19)20-8-9-30-24(20)18-10-17(13-27-14-18)22(28)12-26/h1-11,13-14,22,28H,15H2
Affinity DataKi:  23nMAssay 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))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50109546(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
Affinity DataKi:  23nMMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50259613(CHEMBL467720 | sodium 6-(5-chloro-2-(2,4-dichlorob...)
Show SMILES [O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H14Cl3NO3/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26/h1-8,10H,9,11H2,(H,25,26)/p-1
Affinity DataKi:  25.1nMAssay Description:Antagonist activity at human recombinant EP1 receptor expressed in CHO cells assessed as inhibition of PGE2-mediated intracellular calcium mobilizati...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101863(3-{(S)-3-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-16-15(17(21)13-18(16)22)7-5-11-25-12-10-19(23)24/h8-9,14-16,18,20,22H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,18+/m0/s1
Affinity DataKi:  27nMAssay Description:Affinity for mouse Prostanoid EP1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50183182(2''-benzyloxy-5''-chloro-[1,1';2',1'']terphenyl-3-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-25(30-17-18-7-2-1-3-8-18)24(16-21)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29)
Affinity DataKi:  31.6nMAssay Description:Antagonist activity at EP1 receptor assessed as calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
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