Compile Data Set for Download or QSAR
Found 737 Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor'
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101823(4-(2-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-...)
Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H34O5/c1-2-13-25(14-4-15-25)23(28)6-3-5-19-20(22(27)16-21(19)26)12-9-17-7-10-18(11-8-17)24(29)30/h3,5,7-8,10-11,19-21,23,26,28H,2,4,6,9,12-16H2,1H3,(H,29,30)/b5-3+/t19?,20-,21-,23+/m1/s1
Affinity DataKi: >0.000100nMAssay Description:Binding affinity towards human Prostanoid IP receptor in CHO cells.More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101832((E)-7-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1...)
Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C23H36O5/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/h3,5,7,10,17-18,20-21,25-26H,2,4,6,8-9,11-16H2,1H3,(H,27,28)/b5-3+,10-7+/t17-,18?,20-,21+/m1/s1
Affinity DataKi: >0.000100nMAssay Description:Binding affinity towards human Prostanoid IP receptor in CHO cells.More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50101825((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H40O5/c1-2-15-25(16-8-5-9-17-25)23(28)13-10-12-20-19(21(26)18-22(20)27)11-6-3-4-7-14-24(29)30/h3,6,10,12,19-20,22-23,27-28H,2,4-5,7-9,11,13-18H2,1H3,(H,29,30)/b6-3-,12-10+/t19-,20-,22-,23+/m1/s1
Affinity DataKi: >0.000100nMAssay Description:Binding affinity towards human Prostanoid IP receptor in CHO cells.More data for this Ligand-Target Pair
TargetProstacyclin receptor(RAT)
Arena Pharmaceuticals

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:  1nMAssay Description:Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50235385(APD-811 | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
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:  3.20nMAssay Description:Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
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:  3.30nMAssay Description:Evaluated for its competitive binding affinity towards human Prostanoid IP receptor in CHO cellsMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
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:  4.80nMAssay Description:Binding affinity to human PGI2 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50168287(CHEMBL363800 | Sodium; {3-[(1R,2S,6S)-1-(4,5-diphe...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/p-1/t23-,25-,30+/m0/s1
Affinity DataKi:  6.10nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
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:  6.5nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
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:  6.5nMAssay Description:In vitro Prostacyclin (PGI-2) receptor binding assay was determined based on displacement of [3H]-Iloprost radioligand from cloned human IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50235370(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1S/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
Affinity DataKi:  7nMAssay Description:Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50167887((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
Affinity DataKi:  8.90nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM85179(CAS_94079-80-8 | CICAPROST | NSC_72023)
Show SMILES CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O
Show InChI InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstacyclin receptor(Homo sapiens (Human))
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:  11nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
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
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50167890(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
Affinity DataKi:  12nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50167890(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
Affinity DataKi:  12nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM85186(CAS_5311244 | ISOCARBACYCLIN | NSC_5311244)
Show SMILES CCCCCC(O)C=CC1C(O)CC2C=C(CCCCC(O)=O)CC12
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/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)
Affinity DataKi:  15nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM85181(BERAPROST | CAS_2352 | NSC_2352)
Show SMILES CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12
Show InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
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:  16.6nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

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:  16.6nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM85179(CAS_94079-80-8 | CICAPROST | NSC_72023)
Show SMILES CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O
Show InChI InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)
Affinity DataKi:  17nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223834(CHEMBL9910)
Show SMILES COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C17H19N3O/c1-21-16-8-4-14(5-9-16)12-13-2-6-15(7-3-13)20-17-18-10-11-19-17/h2-9H,10-12H2,1H3,(H2,18,19,20)
Affinity DataKi:  25nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223868(CHEMBL9604)
Show SMILES CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C18H21N3OS/c1-13(2)22-15-5-9-17(10-6-15)23-16-7-3-14(4-8-16)21-18-19-11-12-20-18/h3-10,13H,11-12H2,1-2H3,(H2,19,20,21)
Affinity DataKi:  32nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM50101828(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)
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-/m1/s1
Affinity DataKi:  33nMMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50152515(CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
Affinity DataKi:  37nMAssay Description:Displacement of [3H]-Iloprost from human IP receptor expressed in CHO cells after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50152515(CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
Affinity DataKi:  37nMAssay Description:Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50152515(CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
Affinity DataKi:  37nMAssay Description:Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223861(CHEMBL9552)
Show SMILES CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C17H19N3OS/c1-2-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
Affinity DataKi:  40nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50168291(CHEMBL363350 | Sodium; {3-[(S)-2-(4,5-diphenyl-oxa...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C29H25NO4/c31-26(32)19-33-24-15-7-9-20(18-24)17-23-14-8-16-25(23)29-30-27(21-10-3-1-4-11-21)28(34-29)22-12-5-2-6-13-22/h1-7,9-13,15-16,18,23H,8,14,17,19H2,(H,31,32)/p-1/t23-/m0/s1
Affinity DataKi:  41nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM85188(CAS_128021 | NSC_128021 | ONO-1301)
Show SMILES CC1=C(CCON=C(c2ccccc2)c2cccnc2)c2cccc(OCC(O)=O)c2CC1
Show InChI InChI=1S/C27H26N2O4/c1-19-12-13-24-23(10-5-11-25(24)32-18-26(30)31)22(19)14-16-33-29-27(20-7-3-2-4-8-20)21-9-6-15-28-17-21/h2-11,15,17H,12-14,16,18H2,1H3,(H,30,31)
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50350368(CHEMBL1813117)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(Cl)ccc23)Oc2ccccc12
Show InChI InChI=1S/C28H25ClN2O5/c1-17-22(14-27(32)33)23-13-19(29)9-12-24(23)31(17)28(34)18-7-10-20(11-8-18)35-16-21-15-30(2)25-5-3-4-6-26(25)36-21/h3-13,21H,14-16H2,1-2H3,(H,32,33)/t21-/m0/s1
Affinity DataKi:  49nMAssay Description:Displacement of [3H]-Iloprost from human IP receptor expressed in CHO cells after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223848(CHEMBL10241)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C16H17N3OS/c1-20-13-4-8-15(9-5-13)21-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
Affinity DataKi:  50nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223839(CHEMBL8935)
Show SMILES FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C16H14F3N3S/c17-16(18,19)11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)22-15-20-9-10-21-15/h1-8H,9-10H2,(H2,20,21,22)
Affinity DataKi:  50nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223860(CHEMBL9846)
Show SMILES CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-2-23-17(22)13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
Affinity DataKi:  50nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223848(CHEMBL10241)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C16H17N3OS/c1-20-13-4-8-15(9-5-13)21-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
Affinity DataKi:  50nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(RAT)
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50235370(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1S/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
Affinity DataKi:  51nMAssay Description:Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50370452(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
Affinity DataKi:  54nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50370452(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
Affinity DataKi:  54nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:In vitro Prostacyclin (PGI-2) receptor binding assay was determined based on displacement of [3H]-Iloprost radioligand from cloned human IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:Inhibition of [3H]-Iloprost binding to human prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  60nMAssay Description:Displacement of [3H]iloprost from cloned human PGI2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223835(CHEMBL273530)
Show SMILES COc1ccc(Sc2ccc(NC3=NC(C)CN3)cc2)cc1
Show InChI InChI=1S/C17H19N3OS/c1-12-11-18-17(19-12)20-13-3-7-15(8-4-13)22-16-9-5-14(21-2)6-10-16/h3-10,12H,11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  63nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50350372(CHEMBL1813123)
Show SMILES CN1C[C@@H](COc2ccc(cc2C)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C29H28N2O5/c1-18-14-20(29(34)31-19(2)23(15-28(32)33)22-8-4-5-9-24(22)31)12-13-26(18)35-17-21-16-30(3)25-10-6-7-11-27(25)36-21/h4-14,21H,15-17H2,1-3H3,(H,32,33)/t21-/m0/s1
Affinity DataKi:  72nMAssay Description:Displacement of [3H]-Iloprost from human IP receptor expressed in CHO cells after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50191133(CHEMBL439357 | sodium (R)-2-(3-((2-(4,5-diphenylox...)
Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m1/s1
Affinity DataKi:  76nMAssay Description:Displacement of [3H]iloprost from cloned human PGI2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(RAT)
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50235385(APD-811 | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
Affinity DataKi:  76nMAssay Description:Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...More data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223851(CHEMBL9883)
Show SMILES Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
Show InChI InChI=1S/C15H14ClN3S/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15/h1-8H,9-10H2,(H2,17,18,19)
Affinity DataKi:  79nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50223869(CHEMBL10024)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1
Show InChI InChI=1S/C17H19N3OS/c1-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-2-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
Affinity DataKi:  79nMAssay Description:Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligandMore data for this Ligand-Target Pair
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