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Compile Data Set for Download or QSAR

Found 31 hits of kd data for polymerid = 2173,49000946   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair
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)

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)

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)

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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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)

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)

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)

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=1/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-/s2
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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)

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 300n/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)

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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n/an/an/a 340n/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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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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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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)