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Compile Data Set for Download or QSAR

Found 53 hits of ec50 for UniProtKB: P43253   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostacyclin receptor


(RAT)
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=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
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n/an/an/an/a 0.690n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103391
PNG
(CHEMBL3398233)
Show SMILES COc1ccc(cc1)-c1c(cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H28N2O5/c1-36-24-13-11-22(12-14-24)29-26(21-6-3-2-4-7-21)17-31-32(30(29)35)18-20-10-15-25-23(16-20)8-5-9-27(25)37-19-28(33)34/h2-9,11-14,17,20H,10,15-16,18-19H2,1H3,(H,33,34)
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n/an/an/an/a 11n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103405
PNG
(CHEMBL3398215)
Show SMILES COc1ccc(cc1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C30H28N2O5/c1-36-24-13-11-22(12-14-24)30-26(21-6-3-2-4-7-21)17-28(33)32(31-30)18-20-10-15-25-23(16-20)8-5-9-27(25)37-19-29(34)35/h2-9,11-14,17,20H,10,15-16,18-19H2,1H3,(H,34,35)
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n/an/an/an/a 13n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103408
PNG
(CHEMBL3398220)
Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(C)cc1
Show InChI InChI=1S/C31H30N2O5/c1-20-9-12-22(13-10-20)31-27(24-5-3-7-25(16-24)37-2)17-29(34)33(32-31)18-21-11-14-26-23(15-21)6-4-8-28(26)38-19-30(35)36/h3-10,12-13,16-17,21H,11,14-15,18-19H2,1-2H3,(H,35,36)
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n/an/an/an/a 28n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103394
PNG
(CHEMBL3398229)
Show SMILES COc1cccc(c1F)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-26-12-6-10-23(29(26)31)24-16-32-33(30(36)28(24)20-7-3-2-4-8-20)17-19-13-14-22-21(15-19)9-5-11-25(22)38-18-27(34)35/h2-12,16,19H,13-15,17-18H2,1H3,(H,34,35)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103407
PNG
(CHEMBL3398219)
Show SMILES COc1ccc(cc1F)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-27-13-11-22(15-25(27)31)30-24(20-6-3-2-4-7-20)16-28(34)33(32-30)17-19-10-12-23-21(14-19)8-5-9-26(23)38-18-29(35)36/h2-9,11,13,15-16,19H,10,12,14,17-18H2,1H3,(H,35,36)
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n/an/an/an/a 51n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103404
PNG
(CHEMBL3398228)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccccc4)c3=O)CCc12
Show InChI InChI=1S/C29H24F2N2O4/c30-24-10-5-9-22(28(24)31)23-15-32-33(29(36)27(23)19-6-2-1-3-7-19)16-18-12-13-21-20(14-18)8-4-11-25(21)37-17-26(34)35/h1-11,15,18H,12-14,16-17H2,(H,34,35)
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n/an/an/an/a 110n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103406
PNG
(CHEMBL3398218)
Show SMILES COc1ccc(c(F)c1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-22-11-13-24(26(31)15-22)30-25(20-6-3-2-4-7-20)16-28(34)33(32-30)17-19-10-12-23-21(14-19)8-5-9-27(23)38-18-29(35)36/h2-9,11,13,15-16,19H,10,12,14,17-18H2,1H3,(H,35,36)
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n/an/an/an/a 112n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103431
PNG
(CHEMBL3398216)
Show SMILES Cc1ccc(cc1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C30H28N2O4/c1-20-10-13-23(14-11-20)30-26(22-6-3-2-4-7-22)17-28(33)32(31-30)18-21-12-15-25-24(16-21)8-5-9-27(25)36-19-29(34)35/h2-11,13-14,17,21H,12,15-16,18-19H2,1H3,(H,34,35)
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n/an/an/an/a 120n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235368
PNG
(CHEMBL3893346)
Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)|
Show InChI InChI=1S/C24H29NO6/c1-29-22-13-11-21(12-14-22)25(20-5-3-2-4-6-20)24(28)31-16-19-9-7-18(8-10-19)15-30-17-23(26)27/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,26,27)/t18-,19-
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n/an/an/an/a 165n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103392
PNG
(CHEMBL3398232)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccc(F)cc4)c3=O)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-12-10-21(11-13-23)28-25(20-5-2-1-3-6-20)16-31-32(29(28)35)17-19-9-14-24-22(15-19)7-4-8-26(24)36-18-27(33)34/h1-8,10-13,16,19H,9,14-15,17-18H2,(H,33,34)
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n/an/an/an/a 170n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103390
PNG
(CHEMBL3398234)
Show SMILES COc1ccc(cc1F)-c1c(cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-27-13-11-22(15-25(27)31)29-24(20-6-3-2-4-7-20)16-32-33(30(29)36)17-19-10-12-23-21(14-19)8-5-9-26(23)38-18-28(34)35/h2-9,11,13,15-16,19H,10,12,14,17-18H2,1H3,(H,34,35)
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n/an/an/an/a 174n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235374
PNG
(CHEMBL3935924)
Show SMILES Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:15.16,wD:12.12,(13.2,-36.56,;14.53,-35.79,;15.86,-36.56,;17.2,-35.79,;17.2,-34.25,;15.86,-33.48,;14.53,-34.25,;18.53,-33.48,;19.87,-34.25,;19.87,-35.79,;21.2,-33.48,;22.53,-34.25,;23.87,-33.48,;25.2,-34.25,;26.53,-33.48,;26.53,-31.94,;27.87,-31.17,;29.2,-31.94,;29.2,-33.48,;30.53,-34.25,;31.87,-33.48,;30.53,-35.79,;25.2,-31.17,;23.87,-31.94,;18.53,-31.94,;17.2,-31.17,;17.2,-29.63,;18.53,-28.86,;19.87,-29.63,;19.87,-31.17,)|
Show InChI InChI=1S/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20-
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n/an/an/an/a 174n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235383
PNG
(ACT-293987 | NS-304 | Selexipag | Uptravi)
Show SMILES CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103396
PNG
(CHEMBL3398236)
Show SMILES OC(=O)COc1cccc2C[C@H](Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12 |r|
Show InChI InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)/t17-/m1/s1
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103410
PNG
(CHEMBL3398222)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccccc4)c3=O)CCc12
Show InChI InChI=1S/C29H26N2O4/c32-27(33)19-35-26-13-7-12-23-16-20(14-15-24(23)26)18-31-29(34)28(22-10-5-2-6-11-22)25(17-30-31)21-8-3-1-4-9-21/h1-13,17,20H,14-16,18-19H2,(H,32,33)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103422
PNG
(CHEMBL3398225)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(Cl)c4)c(-c4ccccc4)c3=O)CCc12
Show InChI InChI=1S/C29H25ClN2O4/c30-23-10-4-8-22(15-23)25-16-31-32(29(35)28(25)20-6-2-1-3-7-20)17-19-12-13-24-21(14-19)9-5-11-26(24)36-18-27(33)34/h1-11,15-16,19H,12-14,17-18H2,(H,33,34)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103395
PNG
(CHEMBL3398235)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12
Show InChI InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235372
PNG
(CHEMBL3966307)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)|
Show InChI InChI=1S/C23H26ClNO5/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+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
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-
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103399
PNG
(CHEMBL3398208)
Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
Show InChI InChI=1S/C30H28N2O5/c1-36-24-11-5-9-23(16-24)26-17-28(33)32(31-30(26)21-7-3-2-4-8-21)18-20-13-14-25-22(15-20)10-6-12-27(25)37-19-29(34)35/h2-12,16-17,20H,13-15,18-19H2,1H3,(H,34,35)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103403
PNG
(CHEMBL3398212)
Show SMILES COc1cccc(c1F)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-26-12-6-10-23(29(26)31)24-16-27(34)33(32-30(24)20-7-3-2-4-8-20)17-19-13-14-22-21(15-19)9-5-11-25(22)38-18-28(35)36/h2-12,16,19H,13-15,17-18H2,1H3,(H,35,36)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103402
PNG
(CHEMBL3398211)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3cccc(Cl)c3)CCc12
Show InChI InChI=1S/C29H25ClN2O4/c30-23-10-4-8-22(15-23)25-16-27(33)32(31-29(25)20-6-2-1-3-7-20)17-19-12-13-24-21(14-19)9-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235367
PNG
(CHEMBL3952237)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.76,;29.35,-34.53,;29.35,-36.07,;28.02,-33.76,;28.02,-32.22,;26.68,-31.45,;25.35,-32.22,;25.35,-33.76,;24.02,-34.53,;22.68,-33.76,;21.35,-34.53,;20.01,-33.76,;18.68,-34.53,;18.68,-36.07,;17.35,-33.76,;16.01,-34.53,;16.01,-36.07,;14.68,-36.84,;13.35,-36.07,;13.35,-34.53,;14.68,-33.76,;17.35,-32.22,;16.01,-31.45,;16.01,-29.91,;17.35,-29.14,;18.68,-29.91,;18.68,-31.45,;22.68,-32.22,;24.02,-31.45,)|
Show InChI InChI=1S/C23H27NO5/c25-22(26)17-28-15-18-11-13-19(14-12-18)16-29-23(27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19H,11-17H2,(H,25,26)/t18-,19-
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103416
PNG
(CHEMBL3398230)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccccc4F)c3=O)CCc12 |(1.61,-6.01,;2.67,-5.39,;3.74,-6,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-4.01,1.54,;-4.01,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-3.99,7.7,;-5.32,8.48,;-5.32,10.02,;-3.98,10.78,;-2.65,10.01,;-2.66,8.47,;-5.34,5.4,;-6.67,6.17,;-8,5.41,;-9.34,6.18,;-9.33,7.72,;-8,8.49,;-6.66,7.71,;-5.77,8.22,;-5.34,3.86,;-6.41,3.25,;-2.68,-.77,;-1.33,-1.54,;,-.77,)|
Show InChI InChI=1S/C29H25FN2O4/c30-25-11-5-4-10-23(25)28-24(20-7-2-1-3-8-20)16-31-32(29(28)35)17-19-13-14-22-21(15-19)9-6-12-26(22)36-18-27(33)34/h1-12,16,19H,13-15,17-18H2,(H,33,34)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103400
PNG
(CHEMBL3398209)
Show SMILES Cc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
Show InChI InChI=1S/C30H28N2O4/c1-20-7-5-10-23(15-20)26-17-28(33)32(31-30(26)22-8-3-2-4-9-22)18-21-13-14-25-24(16-21)11-6-12-27(25)36-19-29(34)35/h2-12,15,17,21H,13-14,16,18-19H2,1H3,(H,34,35)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235376
PNG
(CHEMBL3926078)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(31.59,-32.87,;30.26,-33.64,;30.26,-35.18,;28.93,-32.87,;28.93,-31.33,;27.59,-30.56,;26.26,-31.33,;26.26,-32.87,;24.92,-33.64,;23.59,-32.87,;22.26,-33.64,;20.92,-32.87,;19.59,-33.64,;19.59,-35.18,;18.26,-32.87,;18.26,-31.33,;16.92,-30.56,;16.92,-29.02,;18.26,-28.25,;19.59,-29.02,;19.59,-30.56,;16.92,-33.64,;15.59,-32.87,;14.26,-33.64,;14.26,-35.18,;12.92,-35.95,;15.59,-35.95,;15.59,-37.49,;16.92,-35.18,;23.59,-31.33,;24.92,-30.56,)|
Show InChI InChI=1S/C23H25ClFNO5/c24-20-11-10-19(12-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103412
PNG
(CHEMBL3398224)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4)c(-c4ccccc4)c3=O)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-8-22(15-23)25-16-31-32(29(35)28(25)20-6-2-1-3-7-20)17-19-12-13-24-21(14-19)9-5-11-26(24)36-18-27(33)34/h1-11,15-16,19H,12-14,17-18H2,(H,33,34)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103413
PNG
(CHEMBL3398227)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4F)c(-c4ccccc4)c3=O)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-25-11-5-4-10-23(25)24-16-31-32(29(35)28(24)20-7-2-1-3-8-20)17-19-13-14-22-21(15-19)9-6-12-26(22)36-18-27(33)34/h1-12,16,19H,13-15,17-18H2,(H,33,34)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235373
PNG
(CHEMBL3928729)
Show SMILES COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(30.85,-28.01,;29.51,-28.78,;29.51,-30.32,;30.85,-31.09,;30.85,-32.63,;29.51,-33.4,;28.18,-32.63,;28.18,-31.09,;26.85,-33.4,;25.51,-32.63,;25.51,-31.09,;24.18,-33.4,;22.85,-32.63,;21.51,-33.4,;20.18,-32.63,;18.84,-33.4,;18.84,-34.94,;17.51,-35.71,;16.18,-34.94,;16.18,-33.4,;14.84,-32.63,;13.51,-33.4,;14.84,-31.09,;20.18,-35.71,;21.51,-34.94,;26.85,-34.94,;28.18,-35.71,;28.18,-37.25,;26.85,-38.02,;25.51,-37.25,;25.51,-35.71,)|
Show InChI InChI=1S/C24H29NO6/c1-29-22-9-5-8-21(14-22)25(20-6-3-2-4-7-20)24(28)31-16-19-12-10-18(11-13-19)15-30-17-23(26)27/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,26,27)/t18-,19-
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235384
PNG
(CHEMBL3900038)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 |r,wU:9.9,6.5,(30.68,-33.76,;29.35,-34.53,;29.35,-36.07,;28.02,-33.76,;28.02,-32.22,;26.68,-31.45,;25.35,-32.22,;25.35,-33.76,;24.02,-34.53,;22.68,-33.76,;21.35,-34.53,;20.01,-33.76,;18.68,-34.53,;18.68,-36.07,;17.35,-33.76,;16.01,-34.53,;16.01,-36.07,;14.68,-36.84,;13.35,-36.07,;13.35,-34.53,;14.68,-33.76,;17.35,-32.22,;16.01,-31.45,;16.01,-29.91,;17.35,-29.14,;18.68,-29.91,;18.68,-31.45,;22.68,-32.22,;24.02,-31.45,)|
Show InChI InChI=1S/C23H27NO5/c25-22(26)17-28-15-18-11-13-19(14-12-18)16-29-23(27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19H,11-17H2,(H,25,26)/t18-,19+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235385
PNG
(APD-811 | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|
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-
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n/an/an/an/a 530n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235375
PNG
(CHEMBL3975122)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 |r,wU:6.5,wD:9.9,(31.35,-33.64,;30.02,-34.41,;30.02,-35.95,;28.69,-33.64,;28.69,-32.1,;27.35,-31.33,;26.02,-32.1,;26.02,-33.64,;24.69,-34.41,;23.35,-33.64,;22.02,-34.41,;20.68,-33.64,;19.35,-34.41,;19.35,-35.95,;18.02,-33.64,;18.02,-32.1,;16.68,-31.33,;16.68,-29.79,;18.02,-29.02,;19.35,-29.79,;19.35,-31.33,;16.68,-34.41,;16.68,-35.95,;15.35,-36.72,;14.02,-35.95,;12.68,-36.72,;14.02,-34.41,;15.35,-33.64,;23.35,-32.1,;24.69,-31.33,)|
Show InChI InChI=1S/C23H26FNO5/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-
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235386
PNG
(CHEMBL3919269)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:9.9,6.5,(31.59,-33.64,;30.26,-34.41,;30.26,-35.95,;28.93,-33.64,;28.93,-32.1,;27.59,-31.33,;26.26,-32.1,;26.26,-33.64,;24.92,-34.41,;23.59,-33.64,;22.26,-34.41,;20.92,-33.64,;19.59,-34.41,;19.59,-35.95,;18.26,-33.64,;18.26,-32.1,;16.92,-31.33,;16.92,-29.79,;18.26,-29.02,;19.59,-29.79,;19.59,-31.33,;16.92,-34.41,;16.92,-35.95,;15.59,-36.72,;14.26,-35.95,;12.92,-36.72,;14.26,-34.41,;15.59,-33.64,;23.59,-32.1,;24.92,-31.33,)|
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+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235371
PNG
(CHEMBL3922000)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:9.9,6.5,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
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+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103409
PNG
(CHEMBL3398221)
Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-24-6-2-4-22(15-24)26-16-28(34)33(32-30(26)20-9-11-23(31)12-10-20)17-19-8-13-25-21(14-19)5-3-7-27(25)38-18-29(35)36/h2-7,9-12,15-16,19H,8,13-14,17-18H2,1H3,(H,35,36)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235378
PNG
(CHEMBL3981509)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.87,;30.02,-33.64,;30.02,-35.18,;28.69,-32.87,;28.69,-31.33,;27.35,-30.56,;26.02,-31.33,;26.02,-32.87,;24.69,-33.64,;23.35,-32.87,;22.02,-33.64,;20.68,-32.87,;19.35,-33.64,;19.35,-35.18,;18.02,-32.87,;18.02,-31.33,;16.68,-30.56,;16.68,-29.02,;18.02,-28.25,;19.35,-29.02,;19.35,-30.56,;16.68,-33.64,;15.35,-32.87,;14.02,-33.64,;14.02,-35.18,;12.68,-35.95,;15.35,-35.95,;15.35,-37.49,;16.68,-35.18,;23.35,-31.33,;24.69,-30.56,)|
Show InChI InChI=1S/C23H25F2NO5/c24-20-11-10-19(12-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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n/an/an/an/a 640n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103411
PNG
(CHEMBL3398223)
Show SMILES COc1cccc(c1)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C30H28N2O5/c1-36-24-11-5-9-23(16-24)26-17-31-32(30(35)29(26)21-7-3-2-4-8-21)18-20-13-14-25-22(15-20)10-6-12-27(25)37-19-28(33)34/h2-12,16-17,20H,13-15,18-19H2,1H3,(H,33,34)
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n/an/an/an/a 690n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103393
PNG
(CHEMBL3398231)
Show SMILES OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4cccc(F)c4)c3=O)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-9-22(15-23)28-25(20-6-2-1-3-7-20)16-31-32(29(28)35)17-19-12-13-24-21(14-19)8-5-11-26(24)36-18-27(33)34/h1-11,15-16,19H,12-14,17-18H2,(H,33,34)
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n/an/an/an/a 790n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103401
PNG
(CHEMBL3398210)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3cccc(F)c3)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-8-22(15-23)25-16-27(33)32(31-29(25)20-6-2-1-3-7-20)17-19-12-13-24-21(14-19)9-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)
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n/an/an/an/a 900n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235377
PNG
(CHEMBL3890685)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)|
Show InChI InChI=1S/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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n/an/an/an/a 1.33E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103423
PNG
(CHEMBL3398217)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4ccc(F)cc4)c(cc3=O)-c3ccccc3)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-12-10-21(11-13-23)29-25(20-5-2-1-3-6-20)16-27(33)32(31-29)17-19-9-14-24-22(15-19)7-4-8-26(24)36-18-28(34)35/h1-8,10-13,16,19H,9,14-15,17-18H2,(H,34,35)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235379
PNG
(CHEMBL3932106 | US10668033, Compound 55)
Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1cccc(F)c1 |r,wU:16.17,wD:13.13,(31.51,-37.36,;31.51,-35.82,;30.18,-35.05,;30.18,-33.51,;28.85,-32.74,;27.51,-33.51,;27.51,-35.05,;28.85,-35.82,;26.18,-32.74,;24.85,-33.51,;23.51,-32.74,;24.85,-35.05,;23.51,-35.82,;22.18,-35.05,;22.18,-33.51,;20.84,-32.74,;19.51,-33.51,;18.18,-32.74,;16.84,-33.51,;15.51,-32.74,;14.18,-33.51,;12.84,-32.74,;14.18,-35.05,;19.51,-35.05,;20.84,-35.82,;26.18,-31.2,;27.51,-30.43,;27.51,-28.89,;26.18,-28.12,;24.85,-28.89,;23.51,-28.12,;24.85,-30.43,)|
Show InChI InChI=1S/C24H28FNO6/c1-30-22-11-9-20(10-12-22)26(21-4-2-3-19(25)13-21)24(29)32-15-18-7-5-17(6-8-18)14-31-16-23(27)28/h2-4,9-13,17-18H,5-8,14-16H2,1H3,(H,27,28)/t17-,18-
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n/an/an/an/a 1.57E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235389
PNG
(CHEMBL3983767)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.69,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.69,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.69,-33.67,;21.35,-34.44,;20.02,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.02,-31.36,;16.02,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.02,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.02,-35.98,;22.69,-32.13,;24.02,-31.36,)|
Show InChI InChI=1S/C23H25F2NO5/c24-18-8-10-20(11-9-18)26(21-3-1-2-19(25)12-21)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17-
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n/an/an/an/a 1.63E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103398
PNG
(CHEMBL3398206)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3ccccc3)CCc12
Show InChI InChI=1S/C29H26N2O4/c32-27-17-25(21-8-3-1-4-9-21)29(22-10-5-2-6-11-22)30-31(27)18-20-14-15-24-23(16-20)12-7-13-26(24)35-19-28(33)34/h1-13,17,20H,14-16,18-19H2,(H,33,34)
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n/an/an/an/a 2.19E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103436
PNG
(CHEMBL3398214)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4cccc(F)c4)c(cc3=O)-c3ccccc3)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-9-22(15-23)29-25(20-6-2-1-3-7-20)16-27(33)32(31-29)17-19-12-13-24-21(14-19)8-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)
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n/an/an/an/a 2.37E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235388
PNG
(CHEMBL3943791)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(13.25,-32.89,;14.59,-32.12,;14.59,-30.58,;15.92,-32.89,;15.92,-34.43,;17.26,-35.2,;18.59,-34.43,;18.59,-32.89,;19.92,-32.12,;21.26,-32.89,;22.59,-32.12,;23.92,-32.89,;25.26,-32.12,;25.26,-30.58,;26.59,-32.89,;26.59,-34.43,;25.26,-35.2,;25.26,-36.74,;26.59,-37.51,;27.92,-36.74,;29.26,-37.51,;27.92,-35.2,;27.92,-32.12,;29.26,-32.89,;30.59,-32.12,;30.59,-30.58,;31.93,-29.81,;29.26,-29.81,;29.26,-28.27,;27.92,-30.58,;21.26,-34.43,;19.92,-35.2,)|
Show InChI InChI=1S/C23H24ClF2NO5/c24-20-9-8-19(11-21(20)26)27(18-3-1-2-17(25)10-18)23(30)32-13-16-6-4-15(5-7-16)12-31-14-22(28)29/h1-3,8-11,15-16H,4-7,12-14H2,(H,28,29)/t15-,16-
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n/an/an/an/a 2.72E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50103418
PNG
(CHEMBL3398226)
Show SMILES COc1ccc(cc1)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C30H28N2O5/c1-36-24-13-11-21(12-14-24)26-17-31-32(30(35)29(26)22-6-3-2-4-7-22)18-20-10-15-25-23(16-20)8-5-9-27(25)37-19-28(33)34/h2-9,11-14,17,20H,10,15-16,18-19H2,1H3,(H,33,34)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235391
PNG
(CHEMBL3914174)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.68,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.68,-33.67,;21.35,-34.44,;20.01,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.01,-31.36,;16.01,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.01,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.01,-35.98,;22.68,-32.13,;24.02,-31.36,)|
Show InChI InChI=1S/C23H25ClFNO5/c24-18-8-10-20(11-9-18)26(21-3-1-2-19(25)12-21)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17-
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n/an/an/an/a 3.19E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(RAT)
BDBM50235390
PNG
(CHEMBL3952439)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r,wU:6.5,wD:9.9,(31.35,-34.44,;30.02,-35.21,;30.02,-36.75,;28.68,-34.44,;28.68,-32.9,;27.35,-32.13,;26.02,-32.9,;26.02,-34.44,;24.68,-35.21,;23.35,-34.44,;22.01,-35.21,;20.68,-34.44,;19.35,-35.21,;19.35,-36.75,;18.01,-34.44,;16.68,-35.21,;16.68,-36.75,;15.35,-37.52,;14.01,-36.75,;12.68,-37.52,;14.01,-35.21,;15.35,-34.44,;18.01,-32.9,;16.68,-32.13,;16.68,-30.59,;18.01,-29.82,;18.01,-28.28,;19.35,-30.59,;19.35,-32.13,;23.35,-32.9,;24.68,-32.13,)|
Show InChI InChI=1S/C23H25F2NO5/c24-18-5-9-20(10-6-18)26(21-11-7-19(25)8-12-21)23(29)31-14-17-3-1-16(2-4-17)13-30-15-22(27)28/h5-12,16-17H,1-4,13-15H2,(H,27,28)/t16-,17-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
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