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PubMed code 20684598

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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))
BDBM50324491
PNG
(CHEMBL1215159 | N-Benzhydryl-5-(3-hydroxyphenyl)th...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27)
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n/an/a 700n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
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/a 700n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324482
PNG
(CHEMBL1215370 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C24H21N3O3/c25-23(29)22(13-18-14-26-21-7-2-1-6-20(18)21)27-24(30)16-10-8-15(9-11-16)17-4-3-5-19(28)12-17/h1-12,14,22,26,28H,13H2,(H2,25,29)(H,27,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324480
PNG
(CHEMBL1215516 | N-(1-Amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324485
PNG
(CHEMBL1215297 | N-(1-Amino-3-(4-hydroxyphenyl)-1-o...)
Show SMILES NC(=O)C(Cc1ccc(O)cc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19N3O5S/c22-19(27)16(10-12-4-6-14(25)7-5-12)23-21(29)24-20(28)18-9-8-17(30-18)13-2-1-3-15(26)11-13/h1-9,11,16,25-26H,10H2,(H2,22,27)(H2,23,24,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM21624
PNG
(4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...)
Show SMILES Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
Show InChI InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416554
PNG
(CHEMBL1215231)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H18N2OS/c26-17-18-8-7-13-21(16-18)22-14-15-23(29-22)25(28)27-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,24H,(H,27,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324490
PNG
(5-(3-Aminophenyl)-N-benzhydrylthiophene-2-carboxam...)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2OS/c25-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,25H2,(H,26,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324484
PNG
(CHEMBL1215298 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324486
PNG
(CHEMBL1215296 | N-(1-Amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19N3O4S/c22-19(26)16(11-13-5-2-1-3-6-13)23-21(28)24-20(27)18-10-9-17(29-18)14-7-4-8-15(25)12-14/h1-10,12,16,25H,11H2,(H2,22,26)(H2,23,24,27,28)
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n/an/a 3.70E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300128
PNG
(1-(3-(1H-tetrazol-5-yl)propyl)-4-(benzhydryloxy)pi...)
Show SMILES C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1
Show InChI InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324483
PNG
(CHEMBL1215369 | N-(1-amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O3/c23-21(26)20(13-15-5-2-1-3-6-15)24-22(27)17-11-9-16(10-12-17)18-7-4-8-19(25)14-18/h1-12,14,20,25H,13H2,(H2,23,26)(H,24,27)
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n/an/a 4.60E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416552
PNG
(CHEMBL1215368)
Show SMILES NC(=O)C(CC1CCCCC1)NC(=O)c1ccc(s1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C22H25N3O2S/c23-21(26)18(13-14-5-2-1-3-6-14)25-22(27)20-10-9-19(28-20)16-7-4-8-17-15(16)11-12-24-17/h4,7-12,14,18,24H,1-3,5-6,13H2,(H2,23,26)(H,25,27)
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n/an/a 5.07E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416559
PNG
(CHEMBL1215229)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H21NO/c28-26(24-18-16-21(17-19-24)20-10-4-1-5-11-20)27-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H,(H,27,28)
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n/an/a 6.27E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324487
PNG
(CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-...)
Show SMILES CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C17H20N2O3S/c1-10(2)8-13(16(18)21)19-17(22)15-7-6-14(23-15)11-4-3-5-12(20)9-11/h3-7,9-10,13,20H,8H2,1-2H3,(H2,18,21)(H,19,22)
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n/an/a 7.10E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324488
PNG
(CHEMBL1215294 | N-(2-Amino-2-oxoethyl)-5-(3-hydrox...)
Show SMILES NC(=O)CNC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C13H12N2O3S/c14-12(17)7-15-13(18)11-5-4-10(19-11)8-2-1-3-9(16)6-8/h1-6,16H,7H2,(H2,14,17)(H,15,18)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416556
PNG
(CHEMBL1215228)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H18N2OS/c26-22(20-16-27-23(24-20)19-14-8-3-9-15-19)25-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,21H,(H,25,26)
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n/an/a 1.08E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324489
PNG
(CHEMBL1215162 | N-benzhydryl-2-(3-hydroxyphenyl)th...)
Show SMILES Oc1cccc(c1)-c1nc(cs1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N2O2S/c26-19-13-7-12-18(14-19)23-24-20(15-28-23)22(27)25-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21,26H,(H,25,27)
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n/an/a 1.08E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300127
PNG
(CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...)
Show SMILES O=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
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n/an/a 1.28E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416548
PNG
(CHEMBL1215445)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C24H21N3O2/c25-23(28)22(15-16-5-2-1-3-6-16)27-24(29)18-11-9-17(10-12-18)19-7-4-8-21-20(19)13-14-26-21/h1-14,22,26H,15H2,(H2,25,28)(H,27,29)
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n/an/a 1.47E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416557
PNG
(CHEMBL1215161)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H19NOS/c26-24(22-17-16-21(27-22)18-10-4-1-5-11-18)25-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,23H,(H,25,26)
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n/an/a 1.99E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416547
PNG
(CHEMBL1215447)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(c(O)c1)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O4/c23-21(27)19(11-14-5-2-1-3-6-14)24-22(28)16-9-10-18(20(26)13-16)15-7-4-8-17(25)12-15/h1-10,12-13,19,25-26H,11H2,(H2,23,27)(H,24,28)
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n/an/a 2.05E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324479
PNG
(5-amino-4-(3'-hydroxy-[1,1'-biphenyl]-4-ylcarboxam...)
Show SMILES NC(=O)C(CCC(O)=O)NC(=O)c1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C18H18N2O5/c19-17(24)15(7-8-16(22)23)20-18(25)13-5-1-3-11(9-13)12-4-2-6-14(21)10-12/h1-6,9-10,15,21H,7-8H2,(H2,19,24)(H,20,25)(H,22,23)
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n/an/a 2.30E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416549
PNG
(CHEMBL1215444)
Show SMILES NCCCCC(NC(=O)c1ccc(cc1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C19H23N3O3/c20-11-2-1-6-17(18(21)24)22-19(25)14-9-7-13(8-10-14)15-4-3-5-16(23)12-15/h3-5,7-10,12,17,23H,1-2,6,11,20H2,(H2,21,24)(H,22,25)
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n/an/a 2.46E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324481
PNG
(CHEMBL1215446 | N-(1-amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1O)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O4/c23-21(27)19(11-14-5-2-1-3-6-14)24-22(28)18-10-9-16(13-20(18)26)15-7-4-8-17(25)12-15/h1-10,12-13,19,25-26H,11H2,(H2,23,27)(H,24,28)
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n/an/a 2.48E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416558
PNG
(CHEMBL1215158)
Show SMILES OC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C11H8O3S/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6,12H,(H,13,14)
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n/an/a 2.59E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416546
PNG
(CHEMBL1215514)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O3/c23-21(26)20(12-15-6-2-1-3-7-15)24-22(27)18-10-4-8-16(13-18)17-9-5-11-19(25)14-17/h1-11,13-14,20,25H,12H2,(H2,23,26)(H,24,27)
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n/an/a 3.80E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416555
PNG
(CHEMBL1215230)
Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c27-17-18-8-7-13-21(16-18)22-14-15-23(29-22)25(28)26-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,24,27H,17H2,(H,26,28)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416550
PNG
(CHEMBL1215372)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C18H20N2O3/c1-11(2)16(17(19)22)20-18(23)13-8-6-12(7-9-13)14-4-3-5-15(21)10-14/h3-11,16,21H,1-2H3,(H2,19,22)(H,20,23)
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n/an/a 5.33E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416545
PNG
(CHEMBL1215515)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N2O2S/c21-19(23)17(13-14-5-2-1-3-6-14)22-20(24)16-10-8-15(9-11-16)18-7-4-12-25-18/h1-12,17H,13H2,(H2,21,23)(H,22,24)
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n/an/a 5.40E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416551
PNG
(CHEMBL1215371)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C19H22N2O3/c1-12(2)10-17(18(20)23)21-19(24)14-8-6-13(7-9-14)15-4-3-5-16(22)11-15/h3-9,11-12,17,22H,10H2,1-2H3,(H2,20,23)(H,21,24)
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n/an/a 5.76E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50416553
PNG
(CHEMBL1215232)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C26H20N2OS/c29-26(28-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24-15-14-23(30-24)21-12-7-13-22-20(21)16-17-27-22/h1-17,25,27H,(H,28,29)
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n/an/a 5.79E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324481
PNG
(CHEMBL1215446 | N-(1-amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1O)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O4/c23-21(27)19(11-14-5-2-1-3-6-14)24-22(28)18-10-9-16(13-20(18)26)15-7-4-8-17(25)12-15/h1-10,12-13,19,25-26H,11H2,(H2,23,27)(H,24,28)
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n/an/a 6.13E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324487
PNG
(CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-...)
Show SMILES CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C17H20N2O3S/c1-10(2)8-13(16(18)21)19-17(22)15-7-6-14(23-15)11-4-3-5-12(20)9-11/h3-7,9-10,13,20H,8H2,1-2H3,(H2,18,21)(H,19,22)
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n/an/a 6.69E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324489
PNG
(CHEMBL1215162 | N-benzhydryl-2-(3-hydroxyphenyl)th...)
Show SMILES Oc1cccc(c1)-c1nc(cs1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N2O2S/c26-19-13-7-12-18(14-19)23-24-20(15-28-23)22(27)25-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21,26H,(H,25,27)
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n/an/a 7.12E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324484
PNG
(CHEMBL1215298 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28)
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n/an/a 7.25E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324488
PNG
(CHEMBL1215294 | N-(2-Amino-2-oxoethyl)-5-(3-hydrox...)
Show SMILES NC(=O)CNC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C13H12N2O3S/c14-12(17)7-15-13(18)11-5-4-10(19-11)8-2-1-3-9(16)6-8/h1-6,16H,7H2,(H2,14,17)(H,15,18)
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n/an/a 7.39E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300128
PNG
(1-(3-(1H-tetrazol-5-yl)propyl)-4-(benzhydryloxy)pi...)
Show SMILES C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1
Show InChI InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
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n/an/a 7.39E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324490
PNG
(5-(3-Aminophenyl)-N-benzhydrylthiophene-2-carboxam...)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2OS/c25-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,25H2,(H,26,27)
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n/an/a 7.64E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324491
PNG
(CHEMBL1215159 | N-Benzhydryl-5-(3-hydroxyphenyl)th...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27)
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n/an/a 7.92E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300127
PNG
(CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...)
Show SMILES O=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
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n/an/a 8.35E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324483
PNG
(CHEMBL1215369 | N-(1-amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C22H20N2O3/c23-21(26)20(13-15-5-2-1-3-6-15)24-22(27)17-11-9-16(10-12-17)18-7-4-8-19(25)14-18/h1-12,14,20,25H,13H2,(H2,23,26)(H,24,27)
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n/an/a 8.85E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324486
PNG
(CHEMBL1215296 | N-(1-Amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19N3O4S/c22-19(26)16(11-13-5-2-1-3-6-13)23-21(28)24-20(27)18-10-9-17(29-18)14-7-4-8-15(25)12-14/h1-10,12,16,25H,11H2,(H2,22,26)(H2,23,24,27,28)
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n/an/a 8.95E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324482
PNG
(CHEMBL1215370 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C24H21N3O3/c25-23(29)22(13-18-14-26-21-7-2-1-6-20(18)21)27-24(30)16-10-8-15(9-11-16)17-4-3-5-19(28)12-17/h1-12,14,22,26,28H,13H2,(H2,25,29)(H,27,30)
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n/an/a 9.10E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324485
PNG
(CHEMBL1215297 | N-(1-Amino-3-(4-hydroxyphenyl)-1-o...)
Show SMILES NC(=O)C(Cc1ccc(O)cc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19N3O5S/c22-19(27)16(10-12-4-6-14(25)7-5-12)23-21(29)24-20(28)18-9-8-17(30-18)13-2-1-3-15(26)11-13/h1-9,11,16,25-26H,10H2,(H2,22,27)(H2,23,24,28,29)
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n/an/a 9.13E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM21624
PNG
(4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...)
Show SMILES Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
Show InChI InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
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n/an/a 9.46E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50324480
PNG
(CHEMBL1215516 | N-(1-Amino-1-oxo-3-phenylpropan-2-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)
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n/an/a 9.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
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/a 9.77E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%