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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin-H2 D-isomerase'   
Target/Host
(Institution)
LigandTarget/Host
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-H2 D-isomerase


(Homo sapiens (Human))
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(GUINEA PIG)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Homo sapiens (Human))
BDBM50060462
PNG
((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Homo sapiens (Human))
BDBM50060462
PNG
((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
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24.2n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(GUINEA PIG)
BDBM50060462
PNG
((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
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193n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Homo sapiens (Human))
BDBM85347
PNG
(BWA868C | CAS_122021 | NSC_122021)
Show SMILES OC(CNn1c(CCCCCCC(O)=O)c(O)n(Cc2ccccc2)c1=O)C1CCCCC1
Show InChI InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20,22,26,29,32H,1-2,4,7-10,13-18H2,(H,30,31)
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2.60E+3n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Homo sapiens (Human))
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/a 6n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009871
PNG
(Benzo[b]thiophen-3-yl-[2-methyl-1-(2-morpholin-4-y...)
Show SMILES Cc1c(C(=O)c2csc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C24H24N2O2S/c1-17-23(24(27)20-16-29-22-9-5-3-6-18(20)22)19-7-2-4-8-21(19)26(17)11-10-25-12-14-28-15-13-25/h2-9,16H,10-15H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576319
PNG
(CHEMBL4868541)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50526485
PNG
(CHEMBL4473072)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)|
Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and mea...


Bioorg Med Chem 27: 1456-1478 (2019)


Article DOI: 10.1016/j.bmc.2019.02.017
BindingDB Entry DOI: 10.7270/Q2QV3R00
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50526486
PNG
(CHEMBL4526974)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(60.01,-18.28,;60.78,-19.61,;61.55,-18.27,;62.13,-20.38,;59.46,-20.39,;58.12,-19.63,;56.79,-20.41,;56.81,-21.94,;58.14,-22.71,;59.47,-21.93,;55.48,-22.72,;54.14,-21.96,;54.13,-20.42,;52.82,-22.74,;52.83,-24.29,;51.49,-25.06,;50.16,-24.3,;48.83,-25.08,;47.49,-24.31,;46.16,-25.07,;44.83,-24.3,;43.61,-23.6,;44.57,-22.72,;43.32,-24.88,;47.5,-22.76,;48.82,-21.99,;50.16,-22.75,;51.48,-21.98,)|
Show InChI InChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26)/t14-,15-
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and mea...


Bioorg Med Chem 27: 1456-1478 (2019)


Article DOI: 10.1016/j.bmc.2019.02.017
BindingDB Entry DOI: 10.7270/Q2QV3R00
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576314
PNG
(CHEMBL4864805)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r,wU:7.10,wD:4.3,(2.48,-1.86,;3.3,-3.17,;4.02,-1.8,;2,-3.99,;4.67,-3.9,;4.72,-5.44,;6.09,-6.16,;7.39,-5.34,;7.33,-3.8,;5.97,-3.08,;8.76,-6.06,;10.06,-5.24,;10,-3.7,;11.42,-5.96,;11.48,-7.5,;12.83,-8.21,;14.13,-7.39,;15.61,-7.81,;16.46,-6.54,;15.52,-5.33,;14.08,-5.86,;12.72,-5.13,;18,-6.48,;18.81,-7.79,;20.35,-7.73,;21.08,-6.37,;20.25,-5.06,;18.71,-5.12,)|
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576316
PNG
(CHEMBL4870703)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576315
PNG
(CHEMBL4873385)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(23.28,-2.13,;24.11,-3.43,;24.83,-2.06,;22.81,-4.26,;25.48,-4.17,;25.53,-5.7,;26.9,-6.43,;28.2,-5.61,;28.14,-4.06,;26.78,-3.35,;29.56,-6.33,;30.87,-5.5,;30.81,-3.96,;32.23,-6.22,;32.29,-7.76,;33.64,-8.47,;34.94,-7.66,;36.42,-8.08,;37.27,-6.8,;36.33,-5.6,;34.89,-6.12,;33.53,-5.4,;38.81,-6.75,;39.62,-8.05,;41.16,-8,;41.88,-6.64,;41.06,-5.33,;41.77,-3.96,;39.52,-5.39,)|
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50406486
PNG
(CHEMBL2092862)
Show SMILES C[C@H](C(O)=O)n1cc(C(=O)c2ccccc2F)c2ccccc12 |r|
Show InChI InChI=1S/C18H14FNO3/c1-11(18(22)23)20-10-14(12-6-3-5-9-16(12)20)17(21)13-7-2-4-8-15(13)19/h2-11H,1H3,(H,22,23)/t11-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576322
PNG
(CHEMBL4859922)
Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r|
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TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009856
PNG
(CHEMBL13376 | Clometacin | [3-(4-Chloro-benzoyl)-6...)
Show SMILES COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)
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Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009858
PNG
((R) 2-[3-(2-Fluoro-benzoyl)-indol-1-yl]-propionic ...)
Show SMILES CC(C(O)=O)n1cc(C(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C18H14FNO3/c1-11(18(22)23)20-10-14(12-6-3-5-9-16(12)20)17(21)13-7-2-4-8-15(13)19/h2-11H,1H3,(H,22,23)
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Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576323
PNG
(CHEMBL4866146)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)|
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TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576320
PNG
(CHEMBL4847268)
Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009865
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(6-morpholin-4-yl-h...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCCCCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-21-26(27(30)22-11-13-23(31-2)14-12-22)24-9-5-6-10-25(24)29(21)16-8-4-3-7-15-28-17-19-32-20-18-28/h5-6,9-14H,3-4,7-8,15-20H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576325
PNG
(CHEMBL4852189)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(4.33,-9.7,;4.34,-8.16,;3,-8.92,;3.6,-6.81,;5.88,-8.2,;6.63,-9.55,;8.17,-9.58,;8.96,-8.26,;8.21,-6.91,;6.68,-6.88,;10.5,-8.28,;11.25,-9.63,;10.46,-10.95,;12.79,-9.66,;13.53,-11,;15.07,-11.02,;15.87,-9.71,;15.11,-8.37,;13.57,-8.34,;16.15,-7.24,;17.55,-7.87,;17.38,-9.4,;18.51,-10.44,;18.17,-11.94,;19.31,-12.98,;20.78,-12.52,;21.11,-11.01,;22.58,-10.54,;19.97,-9.98,)|
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TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009862
PNG
(CHEMBL12566 | {1-[2-(2-Hydroxy-morpholin-4-yl)-eth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOC(O)C1
Show InChI InChI=1S/C26H26N2O3/c1-18-25(26(30)21-11-6-8-19-7-2-3-9-20(19)21)22-10-4-5-12-23(22)28(18)14-13-27-15-16-31-24(29)17-27/h2-12,24,29H,13-17H2,1H3
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n/an/a 570n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009852
PNG
((2-Fluoro-phenyl)-[2-methyl-1-(1-methyl-2-morpholi...)
Show SMILES CC(CN1CCOCC1)n1c(C)c(C(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C23H25FN2O2/c1-16(15-25-11-13-28-14-12-25)26-17(2)22(19-8-4-6-10-21(19)26)23(27)18-7-3-5-9-20(18)24/h3-10,16H,11-15H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50368233
PNG
(CHEMBL1907833)
Show SMILES C[C@H](CN1CCOCC1)n1c(C)c(C(=O)c2ccccc2F)c2ccccc12 |r|
Show InChI InChI=1S/C23H25FN2O2/c1-16(15-25-11-13-28-14-12-25)26-17(2)22(19-8-4-6-10-21(19)26)23(27)18-7-3-5-9-20(18)24/h3-10,16H,11-15H2,1-2H3/t16-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576321
PNG
(CHEMBL4872589)
Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1cccc(F)c1 |r|
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n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576324
PNG
(CHEMBL4868339)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ccc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(32.28,-11.78,;31.52,-13.11,;33.06,-13.1,;31.53,-14.65,;30.2,-12.34,;30.2,-10.8,;28.86,-10.03,;27.54,-10.8,;27.53,-12.34,;28.86,-13.11,;26.2,-10.04,;24.87,-10.81,;23.54,-10.04,;24.88,-12.35,;26.21,-13.11,;26.22,-14.66,;24.88,-15.44,;24.56,-16.95,;23.03,-17.12,;22.39,-15.7,;23.54,-14.67,;23.55,-13.12,;25.6,-18.09,;25.12,-19.55,;26.15,-20.69,;27.66,-20.37,;28.13,-18.89,;29.63,-18.56,;27.09,-17.76,)|
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TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009857
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(1-methyl-2-morphol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(C(C)CN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3
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n/an/a 900n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009853
PNG
(2-[3-(2-Fluoro-benzoyl)-2-methyl-indol-1-yl]-propi...)
Show SMILES CC(C(O)=O)n1c(C)c(C(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C19H16FNO3/c1-11-17(18(22)13-7-3-5-9-15(13)20)14-8-4-6-10-16(14)21(11)12(2)19(23)24/h3-10,12H,1-2H3,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009869
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-piperazin-1-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCNCC2)c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-17-22(23(27)18-7-9-19(28-2)10-8-18)20-5-3-4-6-21(20)26(17)16-15-25-13-11-24-12-14-25/h3-10,24H,11-16H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576317
PNG
(CHEMBL4849005)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1 |r,wU:7.10,wD:4.3,(24.97,-11.42,;25.8,-12.73,;26.52,-11.36,;24.5,-13.55,;27.17,-13.46,;27.22,-15,;28.58,-15.72,;29.89,-14.9,;29.83,-13.36,;28.47,-12.64,;31.25,-15.62,;32.55,-14.8,;32.49,-13.26,;33.92,-15.52,;33.97,-17.06,;35.33,-17.77,;36.63,-16.95,;38.1,-17.37,;38.96,-16.1,;38.01,-14.89,;36.57,-15.42,;35.22,-14.69,;40.5,-16.04,;41.31,-17.35,;42.85,-17.29,;43.57,-15.93,;45.11,-15.87,;42.74,-14.62,;41.21,-14.69,)|
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50368232
PNG
(CHEMBL1907834)
Show SMILES C[C@@H](C(O)=O)n1cc(C(=O)c2ccccc2F)c2ccccc12 |r|
Show InChI InChI=1S/C18H14FNO3/c1-11(18(22)23)20-10-14(12-6-3-5-9-16(12)20)17(21)13-7-2-4-8-15(13)19/h2-11H,1H3,(H,22,23)/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against prostaglandin synthetase in mouse brain microsomes


Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50576318
PNG
(CHEMBL4868975)
Show SMILES CCN1CCC(CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009863
PNG
(CHEMBL273372 | [2-Ethyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES CCc1c(C(=O)c2ccc(OC)cc2)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C24H28N2O3/c1-3-21-23(24(27)18-8-10-19(28-2)11-9-18)20-6-4-5-7-22(20)26(21)13-12-25-14-16-29-17-15-25/h4-11H,3,12-17H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009867
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(5-morpholin-4-yl-p...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCCCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O3/c1-20-25(26(29)21-10-12-22(30-2)13-11-21)23-8-4-5-9-24(23)28(20)15-7-3-6-14-27-16-18-31-19-17-27/h4-5,8-13H,3,6-7,14-19H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009868
PNG
((4-Methoxy-phenyl)-[1-(2-morpholin-4-yl-ethyl)-1H-...)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H24N2O3/c1-26-18-8-6-17(7-9-18)22(25)20-16-24(21-5-3-2-4-19(20)21)11-10-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Bos taurus)
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine seminal vesicle prostaglandin synthetase


J Med Chem 37: 988-98 (1994)


BindingDB Entry DOI: 10.7270/Q2BP01WP
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50368231
PNG
(CHEMBL337134)
Show SMILES C[C@@H](CN1CCOCC1)n1c(C)c(C(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C23H25FN2O2/c1-16(15-25-11-13-28-14-12-25)26-17(2)22(19-8-4-6-10-21(19)26)23(27)18-7-3-5-9-20(18)24/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50368234
PNG
(CHEMBL1907835)
Show SMILES C[C@H](CN1CCOCC1)n1cc(C(=O)c2ccccc2F)c2ccccc12 |r|
Show InChI InChI=1S/C22H23FN2O2/c1-16(14-24-10-12-27-13-11-24)25-15-19(17-6-3-5-9-21(17)25)22(26)18-7-2-4-8-20(18)23/h2-9,15-16H,10-14H2,1H3/t16-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Homo sapiens (Human))
BDBM50615780
PNG
(CHEMBL5285108)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1 |r,wU:7.10,wD:4.3,(6.66,4.03,;7.43,2.69,;8.2,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-5.89,-.4,;-4.57,.37,;-3.24,-.39,;-1.91,.39,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,)|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009866
PNG
(CHEMBL275312 | [3-(4-Methoxy-benzoyl)-2-methyl-ind...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO4/c1-12-18(19(23)13-7-9-14(24-2)10-8-13)15-5-3-4-6-16(15)20(12)11-17(21)22/h3-10H,11H2,1-2H3,(H,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009861
PNG
((2-Fluoro-phenyl)-[1-(1-methyl-2-morpholin-4-yl-et...)
Show SMILES CC(CN1CCOCC1)n1cc(C(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H23FN2O2/c1-16(14-24-10-12-27-13-11-24)25-15-19(17-6-3-5-9-21(17)25)22(26)18-7-2-4-8-20(18)23/h2-9,15-16H,10-14H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
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