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Compile Data Set for Download or QSAR

Found 325 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D Synthase'   
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 D Synthase


(Homo sapiens (human))
BDBM50084154
PNG
(CHEMBL1233897)
Show SMILES Fc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)
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n/an/an/a 9.5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084153
PNG
(CHEMBL3425948)
Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27)
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n/an/an/a 12n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084154
PNG
(CHEMBL1233897)
Show SMILES Fc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)
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n/an/an/a 20n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084152
PNG
(CHEMBL3425949)
Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29)
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n/an/an/a 23n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084152
PNG
(CHEMBL3425949)
Show SMILES CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-8-6-14(7-9-15)11-26-20(29)16-12-24-19(25-13-16)17-5-3-4-10-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29)
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n/an/an/a 35n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084153
PNG
(CHEMBL3425948)
Show SMILES COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27)
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n/an/an/a 44n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084155
PNG
(CHEMBL3425953)
Show SMILES O=C(CCc1cccnc1)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C21H18N4O/c26-21(7-6-15-3-2-9-22-12-15)25-17-11-16(13-23-14-17)18-4-1-5-20-19(18)8-10-24-20/h1-5,8-14,24H,6-7H2,(H,25,26)
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n/an/an/a 50n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM21625
PNG
(2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole | 2-phen...)
Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1
Show InChI InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)
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n/an/an/a 51n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084156
PNG
(CHEMBL3425954)
Show SMILES CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H15N3O/c1-2-16(20)19-12-8-11(9-17-10-12)13-4-3-5-15-14(13)6-7-18-15/h3-10,18H,2H2,1H3,(H,19,20)
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n/an/an/a 60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084258
PNG
(CHEMBL3425959)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C19H20F3N3O2/c20-19(21,22)13-25-10-8-15(9-11-25)24-18(26)14-6-7-17(23-12-14)27-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13H2,(H,24,26)
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n/an/an/a 60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084259
PNG
(CHEMBL3425960)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCCC1
Show InChI InChI=1S/C18H25F3N4O/c19-18(20,21)13-24-10-6-15(7-11-24)23-17(26)14-4-5-16(22-12-14)25-8-2-1-3-9-25/h4-5,12,15H,1-3,6-11,13H2,(H,23,26)
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n/an/an/a<100n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084260
PNG
(CHEMBL3425961)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C17H23F3N4O/c18-17(19,20)12-23-9-5-14(6-10-23)22-16(25)13-3-4-15(21-11-13)24-7-1-2-8-24/h3-4,11,14H,1-2,5-10,12H2,(H,22,25)
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n/an/an/a 200n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084265
PNG
(CHEMBL3425966)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-7-4-14(5-8-25)24-17(27)13-1-2-15(23-10-13)12-3-6-22-16(26)9-12/h1-3,6,9-10,14H,4-5,7-8,11H2,(H,22,26)(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084255
PNG
(CHEMBL3425956)
Show SMILES O=C(Cn1cnnn1)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H13N7O/c24-16(9-23-10-19-21-22-23)20-12-6-11(7-17-8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,10,18H,9H2,(H,20,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084150
PNG
(CHEMBL3425951)
Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)
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n/an/an/a 210n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084157
PNG
(CHEMBL3425955)
Show SMILES O=C(Nc1cncc(c1)-c1cccc2[nH]ccc12)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C18H16N4O2/c23-17-5-4-16(22-17)18(24)21-12-8-11(9-19-10-12)13-2-1-3-15-14(13)6-7-20-15/h1-3,6-10,16,20H,4-5H2,(H,21,24)(H,22,23)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM21625
PNG
(2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole | 2-phen...)
Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1
Show InChI InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084150
PNG
(CHEMBL3425951)
Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084262
PNG
(CHEMBL3425963)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C17H23F3N4O2/c18-17(19,20)12-23-5-3-14(4-6-23)22-16(25)13-1-2-15(21-11-13)24-7-9-26-10-8-24/h1-2,11,14H,3-10,12H2,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084267
PNG
(CHEMBL3425968)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1cccc(=O)[nH]1
Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-8-6-13(7-9-25)23-17(27)12-4-5-14(22-10-12)15-2-1-3-16(26)24-15/h1-5,10,13H,6-9,11H2,(H,23,27)(H,24,26)
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n/an/an/a 400n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084151
PNG
(CHEMBL3425950)
Show SMILES CN(C)CCCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24)
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n/an/an/a 570n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084149
PNG
(CHEMBL3425952)
Show SMILES COCCCNC(=O)c1nc(no1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20)
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n/an/an/a 650n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084269
PNG
(CHEMBL3425970)
Show SMILES NC(=O)c1ccc(nc1)-c1cccc(F)c1
Show InChI InChI=1S/C12H9FN2O/c13-10-3-1-2-8(6-10)11-5-4-9(7-15-11)12(14)16/h1-7H,(H2,14,16)
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n/an/an/a 800n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084264
PNG
(CHEMBL3425965)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCNC(=O)C1
Show InChI InChI=1S/C17H22F3N5O2/c18-17(19,20)11-24-6-3-13(4-7-24)23-16(27)12-1-2-14(22-9-12)25-8-5-21-15(26)10-25/h1-2,9,13H,3-8,10-11H2,(H,21,26)(H,23,27)
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n/an/an/a 1.00E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084256
PNG
(CHEMBL3425957)
Show SMILES O=C(CCN1CCCCC1)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C21H24N4O/c26-21(8-12-25-10-2-1-3-11-25)24-17-13-16(14-22-15-17)18-5-4-6-20-19(18)7-9-23-20/h4-7,9,13-15,23H,1-3,8,10-12H2,(H,24,26)
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n/an/an/a 1.00E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084266
PNG
(CHEMBL3425967)
Show SMILES COc1cc(ccn1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C19H21F3N4O2/c1-28-17-10-13(4-7-23-17)16-3-2-14(11-24-16)18(27)25-15-5-8-26(9-6-15)12-19(20,21)22/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,25,27)
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n/an/an/a 2.00E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084268
PNG
(CHEMBL3425969)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-7-5-14(6-8-25)24-17(27)13-1-3-15(22-10-13)12-2-4-16(26)23-9-12/h1-4,9-10,14H,5-8,11H2,(H,23,26)(H,24,27)
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n/an/an/a 1.00E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084263
PNG
(CHEMBL3425964)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C17H24F3N5O/c18-17(19,20)12-24-7-3-14(4-8-24)23-16(26)13-1-2-15(22-11-13)25-9-5-21-6-10-25/h1-2,11,14,21H,3-10,12H2,(H,23,26)
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n/an/an/a 1.30E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084261
PNG
(CHEMBL3425962)
Show SMILES CN(C)c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C15H21F3N4O/c1-21(2)13-4-3-11(9-19-13)14(23)20-12-5-7-22(8-6-12)10-15(16,17)18/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,23)
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n/an/an/a 1.40E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50084257
PNG
(CHEMBL3425958)
Show SMILES Cn1cncc1CC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C19H17N5O/c1-24-12-21-11-15(24)8-19(25)23-14-7-13(9-20-10-14)16-3-2-4-18-17(16)5-6-22-18/h2-7,9-12,22H,8H2,1H3,(H,23,25)
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n/an/an/a<2.00E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM21615
PNG
(1-phenyl-1H-pyrazole-4-carboxylic acid | Pyrazole,...)
Show SMILES OC(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
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n/an/an/a 1.40E+5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85603
PNG
(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
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0.300n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85175
PNG
(BW245C | CAS_72814-32-5 | NSC_3080928)
Show SMILES OC(CCn1c(CCCCCCC(O)=O)c(O)[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14,16,22,25H,1-13H2,(H,20,26)(H,23,24)
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0.400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM82213
PNG
(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50109546
PNG
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
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132n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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307n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85601
PNG
(AH-23848 | AH-23848,(-) | CAS_54751 | NSC_54751)
Show SMILES OC(=O)C(CC=C(CCC1CCC(=O)C1)OCc1ccc(cc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C29H35NO5/c31-26-12-8-22(20-26)9-13-27(14-15-28(29(32)33)30-16-18-34-19-17-30)35-21-23-6-10-25(11-7-23)24-4-2-1-3-5-24/h1-7,10-11,14,22,28H,8-9,12-13,15-21H2,(H,32,33)
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697n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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861n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85179
PNG
(CAS_94079-80-8 | CICAPROST | NSC_72023)
Show SMILES CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O
Show InChI InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)
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1.34E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85184
PNG
(AH-6809 | CAS_33458-93-4 | NSC_119461)
Show SMILES CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O
Show InChI InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
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1.42E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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3.97E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50085910
PNG
((Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenox...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50101824
PNG
(7-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-pro...)
Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
Show InChI InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19?,21-,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85602
PNG
((R)-BUTAPROST | Butaprost (Free Acid) | CAS_69648-...)
Show SMILES CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
Show InChI InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85338
PNG
(CAS_73121-56-9 | ENPROSTIL | NSC_5282207)
Show SMILES COC(=O)CCC=C=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O
Show InChI InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85173
PNG
(CAS_40666-16-8 | FLUPROSTENOL | NSC_5311100)
Show SMILES OC(COc1cccc(c1)C(F)(F)F)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50240648
PNG
(LATANOPROST (FREE ACID) | PhXA 41 | Xalatan | isop...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM50150899
PNG
((E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
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