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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin I2 synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022222
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carbox...)
Show SMILES Cc1c(Cn2ccnc2)oc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O3/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a>10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthetase


J Med Chem 29: 1643-50 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036344
PNG
((Z)-6-{2-[1-(2-Methanesulfonyl-phenoxy)-1-methyl-e...)
Show SMILES CC(C)(Oc1ccccc1S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H31NO7S/c1-25(2,33-20-12-7-8-13-21(20)34(3,29)30)24-31-17-19(10-5-4-6-14-22(27)28)23(32-24)18-11-9-15-26-16-18/h4-5,7-9,11-13,15-16,19,23-24H,6,10,14,17H2,1-3H3,(H,27,28)/b5-4-
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036377
PNG
((Z)-6-{2-[1-(4-Fluoro-phenoxy)-1-methyl-ethyl]-4-p...)
Show SMILES CC(C)(Oc1ccc(F)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H28FNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036359
PNG
((Z)-6-{2-[2-(4-Fluoro-phenyl)-1,1-dimethyl-ethyl]-...)
Show SMILES CC(C)(Cc1ccc(F)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H30FNO4/c1-25(2,15-18-10-12-21(26)13-11-18)24-30-17-20(7-4-3-5-9-22(28)29)23(31-24)19-8-6-14-27-16-19/h3-4,6,8,10-14,16,20,23-24H,5,7,9,15,17H2,1-2H3,(H,28,29)/b4-3-
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036376
PNG
((Z)-6-[2-(2,4-Dichloro-phenyl)-4-pyridin-3-yl-[1,3...)
Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H21Cl2NO4/c22-16-8-9-17(18(23)11-16)21-27-13-15(5-2-1-3-7-19(25)26)20(28-21)14-6-4-10-24-12-14/h1-2,4,6,8-12,15,20-21H,3,5,7,13H2,(H,25,26)/b2-1-
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n/an/a 2.50E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036351
PNG
((Z)-6-{2-[1-(2-Cyano-phenoxy)-1-methyl-ethyl]-4-py...)
Show SMILES CC(C)(Oc1ccccc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H28N2O5/c1-25(2,32-21-12-7-6-9-18(21)15-26)24-30-17-20(10-4-3-5-13-22(28)29)23(31-24)19-11-8-14-27-16-19/h3-4,6-9,11-12,14,16,20,23-24H,5,10,13,17H2,1-2H3,(H,28,29)/b4-3-
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n/an/a 3.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036362
PNG
((Z)-6-{2-[1-(4-Bromo-phenoxy)-1-methyl-ethyl]-4-py...)
Show SMILES CC(C)(Oc1ccc(Br)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-
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n/an/a 4.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036370
PNG
((Z)-6-{2-[1-(4-Cyano-phenoxy)-1-methyl-ethyl]-4-py...)
Show SMILES CC(C)(Oc1ccc(cc1)C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H28N2O5/c1-25(2,32-21-12-10-18(15-26)11-13-21)24-30-17-20(7-4-3-5-9-22(28)29)23(31-24)19-8-6-14-27-16-19/h3-4,6,8,10-14,16,20,23-24H,5,7,9,17H2,1-2H3,(H,28,29)/b4-3-
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n/an/a 4.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036387
PNG
((Z)-6-{2-[1-(4-Acetyl-2-nitro-phenoxy)-1-methyl-et...)
Show SMILES CC(=O)c1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H30N2O8/c1-17(29)18-11-12-22(21(14-18)28(32)33)36-26(2,3)25-34-16-20(8-5-4-6-10-23(30)31)24(35-25)19-9-7-13-27-15-19/h4-5,7,9,11-15,20,24-25H,6,8,10,16H2,1-3H3,(H,30,31)/b5-4-
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n/an/a 4.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036362
PNG
((Z)-6-{2-[1-(4-Bromo-phenoxy)-1-methyl-ethyl]-4-py...)
Show SMILES CC(C)(Oc1ccc(Br)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-
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n/an/a 4.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036345
PNG
((Z)-6-{2-[1-Methyl-1-(4-methylsulfanyl-2-nitro-phe...)
Show SMILES CSc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7S/c1-25(2,34-21-12-11-19(35-3)14-20(21)27(30)31)24-32-16-18(8-5-4-6-10-22(28)29)23(33-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-
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n/an/a 5.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036372
PNG
((Z)-6-{2-[1-(2-Bromo-phenoxy)-1-methyl-ethyl]-4-py...)
Show SMILES CC(C)(Oc1ccccc1Br)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-7-6-11-19(20)25)23-29-16-18(9-4-3-5-13-21(27)28)22(30-23)17-10-8-14-26-15-17/h3-4,6-8,10-12,14-15,18,22-23H,5,9,13,16H2,1-2H3,(H,27,28)/b4-3-
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n/an/a 7.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036356
PNG
((Z)-6-{2-[2-(2-Cyano-4-fluoro-phenyl)-1,1-dimethyl...)
Show SMILES CC(C)(Cc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C26H29FN2O4/c1-26(2,14-18-10-11-22(27)13-21(18)15-28)25-32-17-20(7-4-3-5-9-23(30)31)24(33-25)19-8-6-12-29-16-19/h3-4,6,8,10-13,16,20,24-25H,5,7,9,14,17H2,1-2H3,(H,30,31)/b4-3-
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n/an/a 7.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036386
PNG
((Z)-6-{2-[1-(4-Methanesulfonyl-phenoxy)-1-methyl-e...)
Show SMILES CC(C)(Oc1ccc(cc1)S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H31NO7S/c1-25(2,33-20-11-13-21(14-12-20)34(3,29)30)24-31-17-19(8-5-4-6-10-22(27)28)23(32-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-
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n/an/a 8.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036354
PNG
((Z)-6-{2-[1-(4-Fluoro-2-nitro-phenoxy)-1-methyl-et...)
Show SMILES CC(C)(Oc1ccc(F)cc1[N+]([O-])=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H27FN2O7/c1-24(2,34-20-11-10-18(25)13-19(20)27(30)31)23-32-15-17(7-4-3-5-9-21(28)29)22(33-23)16-8-6-12-26-14-16/h3-4,6,8,10-14,17,22-23H,5,7,9,15H2,1-2H3,(H,28,29)/b4-3-
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n/an/a 9.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036363
PNG
((Z)-6-[2-(3,4-Dichloro-phenyl)-4-pyridin-3-yl-[1,3...)
Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H21Cl2NO4/c22-17-9-8-14(11-18(17)23)21-27-13-16(5-2-1-3-7-19(25)26)20(28-21)15-6-4-10-24-12-15/h1-2,4,6,8-12,16,20-21H,3,5,7,13H2,(H,25,26)/b2-1-
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n/an/a 9.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036361
PNG
((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...)
Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N
Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-
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n/an/a 1.20E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036361
PNG
((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...)
Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N
Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-
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n/an/a 1.20E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036374
PNG
((Z)-6-[2-(4-Nitro-phenyl)-4-pyridin-3-yl-[1,3]diox...)
Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N2O6/c24-19(25)7-3-1-2-5-17-14-28-21(15-8-10-18(11-9-15)23(26)27)29-20(17)16-6-4-12-22-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,24,25)/b2-1-
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n/an/a 1.30E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036368
PNG
((Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3...)
Show SMILES CC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H31NO4/c1-25(2,16-19-10-5-3-6-11-19)24-29-18-21(12-7-4-8-14-22(27)28)23(30-24)20-13-9-15-26-17-20/h3-7,9-11,13,15,17,21,23-24H,8,12,14,16,18H2,1-2H3,(H,27,28)/b7-4-
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n/an/a 1.30E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036380
PNG
((Z)-6-{2-[2-(2-Cyano-phenyl)-1,1-dimethyl-ethyl]-4...)
Show SMILES CC(C)(Cc1ccccc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C26H30N2O4/c1-26(2,15-19-9-6-7-10-20(19)16-27)25-31-18-22(11-4-3-5-13-23(29)30)24(32-25)21-12-8-14-28-17-21/h3-4,6-10,12,14,17,22,24-25H,5,11,13,15,18H2,1-2H3,(H,29,30)/b4-3-
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n/an/a 1.40E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036346
PNG
((Z)-6-{2-[1-(4-Methoxy-2-nitro-phenoxy)-1-methyl-e...)
Show SMILES COc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O8/c1-25(2,35-21-12-11-19(32-3)14-20(21)27(30)31)24-33-16-18(8-5-4-6-10-22(28)29)23(34-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-
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n/an/a 2.30E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036382
PNG
((Z)-6-[2-(1-Methyl-1-p-tolyloxy-ethyl)-4-pyridin-3...)
Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1
Show InChI InChI=1S/C25H31NO5/c1-18-11-13-21(14-12-18)31-25(2,3)24-29-17-20(8-5-4-6-10-22(27)28)23(30-24)19-9-7-15-26-16-19/h4-5,7,9,11-16,20,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-
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n/an/a 2.50E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036365
PNG
((Z)-6-{2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-et...)
Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-
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n/an/a 2.80E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036360
PNG
((Z)-6-{2-[1-Methyl-1-(4-methylsulfanyl-phenoxy)-et...)
Show SMILES CSc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1
Show InChI InChI=1S/C25H31NO5S/c1-25(2,31-20-11-13-21(32-3)14-12-20)24-29-17-19(8-5-4-6-10-22(27)28)23(30-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-
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n/an/a 3.20E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036365
PNG
((Z)-6-{2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-et...)
Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-
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n/an/a 3.30E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036355
PNG
((Z)-6-{2-[1-(2-Cyano-4-fluoro-phenoxy)-1-methyl-et...)
Show SMILES CC(C)(Oc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H27FN2O5/c1-25(2,33-21-11-10-20(26)13-19(21)14-27)24-31-16-18(7-4-3-5-9-22(29)30)23(32-24)17-8-6-12-28-15-17/h3-4,6,8,10-13,15,18,23-24H,5,7,9,16H2,1-2H3,(H,29,30)/b4-3-
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n/an/a 3.70E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036349
PNG
((Z)-6-{2-[1-(3-Fluoro-phenoxy)-1-methyl-ethyl]-4-p...)
Show SMILES CC(C)(Oc1cccc(F)c1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H28FNO5/c1-24(2,31-20-11-6-10-19(25)14-20)23-29-16-18(8-4-3-5-12-21(27)28)22(30-23)17-9-7-13-26-15-17/h3-4,6-7,9-11,13-15,18,22-23H,5,8,12,16H2,1-2H3,(H,27,28)/b4-3-
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n/an/a 4.00E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036369
PNG
((Z)-6-{2-[1-(2-Methoxy-phenoxy)-1-methyl-ethyl]-4-...)
Show SMILES COc1ccccc1OC(C)(C)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C25H31NO6/c1-25(2,32-21-13-8-7-12-20(21)29-3)24-30-17-19(10-5-4-6-14-22(27)28)23(31-24)18-11-9-15-26-16-18/h4-5,7-9,11-13,15-16,19,23-24H,6,10,14,17H2,1-3H3,(H,27,28)/b5-4-
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n/an/a 5.10E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036373
PNG
((Z)-6-{2-[1-(2-Cyano-6-methyl-phenoxy)-1-methyl-et...)
Show SMILES Cc1cccc(C#N)c1OC(C)(C)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C26H30N2O5/c1-18-9-7-11-19(15-27)23(18)33-26(2,3)25-31-17-21(10-5-4-6-13-22(29)30)24(32-25)20-12-8-14-28-16-20/h4-5,7-9,11-12,14,16,21,24-25H,6,10,13,17H2,1-3H3,(H,29,30)/b5-4-
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n/an/a 6.00E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036350
PNG
(2-{1-[5-((Z)-5-Carboxy-pent-2-enyl)-4-pyridin-3-yl...)
Show SMILES COC(=O)c1ccccc1OC(C)(C)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C26H31NO7/c1-26(2,34-21-13-8-7-12-20(21)24(30)31-3)25-32-17-19(10-5-4-6-14-22(28)29)23(33-25)18-11-9-15-27-16-18/h4-5,7-9,11-13,15-16,19,23,25H,6,10,14,17H2,1-3H3,(H,28,29)/b5-4-
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n/an/a 7.30E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50036371
PNG
((Z)-6-[2-(1-Methyl-1-phenoxy-ethyl)-4-pyridin-3-yl...)
Show SMILES CC(C)(Oc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Show InChI InChI=1S/C24H29NO5/c1-24(2,30-20-12-6-4-7-13-20)23-28-17-19(10-5-3-8-14-21(26)27)22(29-23)18-11-9-15-25-16-18/h3-7,9,11-13,15-16,19,22-23H,8,10,14,17H2,1-2H3,(H,26,27)/b5-3-
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n/an/a 7.50E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes


J Med Chem 38: 686-94 (1995)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50025985
PNG
(4-(2-Imidazol-1-yl-ethoxy)-N,N-dimethyl-benzamide ...)
Show SMILES CN(C)C(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-16(2)14(18)12-3-5-13(6-4-12)19-10-9-17-8-7-15-11-17/h3-8,11H,9-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthase


J Med Chem 28: 1427-32 (1985)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50025992
PNG
(4-(2-Imidazol-1-yl-ethoxy)-N-methyl-benzamide | CH...)
Show SMILES CNC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15N3O2/c1-14-13(17)11-2-4-12(5-3-11)18-9-8-16-7-6-15-10-16/h2-7,10H,8-9H2,1H3,(H,14,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthase


J Med Chem 28: 1427-32 (1985)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50025993
PNG
(CHEMBL284963 | [2-(2-Imidazol-1-yl-ethoxy)-phenyl]...)
Show SMILES OC(=O)Cc1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C13H14N2O3/c16-13(17)9-11-3-1-2-4-12(11)18-8-7-15-6-5-14-10-15/h1-6,10H,7-9H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthase


J Med Chem 28: 1427-32 (1985)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022123
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-acry...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1\C=C\C(O)=O
Show InChI InChI=1S/C16H15N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-9,11H,10H2,1H3,(H,20,21)/b8-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022124
PNG
(3-(3-Imidazol-1-ylmethyl-indol-1-yl)-propionic aci...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C15H15N3O2/c19-15(20)5-7-18-10-12(9-17-8-6-16-11-17)13-3-1-2-4-14(13)18/h1-4,6,8,10-11H,5,7,9H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022126
PNG
((3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid | C...)
Show SMILES OC(=O)Cn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c18-14(19)9-17-8-11(7-16-6-5-15-10-16)12-3-1-2-4-13(12)17/h1-6,8,10H,7,9H2,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022121
PNG
(3-Imidazol-1-ylmethyl-2-isopropyl-1H-indole | 3-Im...)
Show SMILES CC(C)c1[nH]c2ccccc2c1Cn1ccnc1
Show InChI InChI=1S/C15H17N3/c1-11(2)15-13(9-18-8-7-16-10-18)12-5-3-4-6-14(12)17-15/h3-8,10-11,17H,9H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022125
PNG
(3-(5-Dimethylamino-3-imidazol-1-ylmethyl-indol-1-y...)
Show SMILES CN(C)c1ccc2n(CCC(O)=O)cc(Cn3ccnc3)c2c1
Show InChI InChI=1S/C17H20N4O2/c1-19(2)14-3-4-16-15(9-14)13(10-20-8-6-18-12-20)11-21(16)7-5-17(22)23/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022131
PNG
(3-(3-Imidazol-1-ylmethyl-6-trifluoromethyl-indol-1...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O2/c17-16(18,19)12-1-2-13-11(8-21-6-4-20-10-21)9-22(14(13)7-12)5-3-15(23)24/h1-2,4,6-7,9-10H,3,5,8H2,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022127
PNG
(3-(3-Imidazol-1-ylmethyl-5-methyl-indol-1-yl)-prop...)
Show SMILES Cc1ccc2n(CCC(O)=O)cc(Cn3ccnc3)c2c1
Show InChI InChI=1S/C16H17N3O2/c1-12-2-3-15-14(8-12)13(9-18-7-5-17-11-18)10-19(15)6-4-16(20)21/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022118
PNG
(3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-p...)
Show SMILES CC(C)c1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C18H21N3O2/c1-13(2)18-15(11-20-10-8-19-12-20)14-5-3-4-6-16(14)21(18)9-7-17(22)23/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022130
PNG
(3-(2-Cyclopropyl-3-imidazol-1-ylmethyl-indol-1-yl)...)
Show SMILES OC(=O)CCn1c(C2CC2)c(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C18H19N3O2/c22-17(23)7-9-21-16-4-2-1-3-14(16)15(18(21)13-5-6-13)11-20-10-8-19-12-20/h1-4,8,10,12-13H,5-7,9,11H2,(H,22,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022129
PNG
(3-(5-Bromo-3-imidazol-1-ylmethyl-indol-1-yl)-propi...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN3O2/c16-12-1-2-14-13(7-12)11(8-18-6-4-17-10-18)9-19(14)5-3-15(20)21/h1-2,4,6-7,9-10H,3,5,8H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthetase


J Med Chem 29: 1643-50 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022216
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-5...)
Show SMILES Cc1c(Cn2ccnc2)sc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthetase


J Med Chem 29: 1643-50 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
Prostaglandin I2 synthase


(Homo sapiens)
BDBM50022119
PNG
(3-(5-Chloro-3-imidazol-1-ylmethyl-indol-1-yl)-prop...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H14ClN3O2/c16-12-1-2-14-13(7-12)11(8-18-6-4-17-10-18)9-19(14)5-3-15(20)21/h1-2,4,6-7,9-10H,3,5,8H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PGI-2 synthetase from porcine aorta


J Med Chem 29: 342-6 (1986)

More data for this
Ligand-Target Pair
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