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Compile Data Set for Download or QSAR

Found 475 hits of ic50 data for polymerid = 6044   
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
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347359
PNG
(US10301320, ID SW033291 | US9789116, SW033291)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
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n/an/a 0.760n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US9789116, SW206980)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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n/an/a 0.970n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


US Patent US10301320 (2019)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347365
PNG
(US10301320, ID SW206992 | US9789116, SW206992)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1/C14H15N3OS3/c1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13/h4-7H,2-3,8,15H2,1H3
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n/an/a 0.970n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US9789116, SW206980)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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n/an/a 0.970n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266191
PNG
(CHEMBL4072253)
Show SMILES CCCC[S+]([O-])c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1S/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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n/an/a 1n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266223
PNG
(CHEMBL4060121)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3
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UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347384
PNG
(US9789116, SW208436)
Show SMILES CCCCS(=O)c1sc2nc(nc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3
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n/an/a 1.14n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347359
PNG
(US10301320, ID SW033291 | US9789116, SW033291)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
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n/an/a 1.23n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347359
PNG
(US10301320, ID SW033291 | US9789116, SW033291)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
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n/an/a 1.23n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


US Patent US10301320 (2019)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347429
PNG
(US9789116, SW209415)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1
Show InChI InChI=1/C19H21N5OS3/c1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17/h6-7,9-10H,4-5,8,20H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266122
PNG
(CHEMBL4070789)
Show SMILES CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H21N5OS3/c1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17/h6-7,9-10H,4-5,8,20H2,1-3H3/t28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347429
PNG
(US9789116, SW209415)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1
Show InChI InChI=1/C19H21N5OS3/c1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17/h6-7,9-10H,4-5,8,20H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347379
PNG
(US9789116, SW211668)
Show SMILES CCCC[S@@+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3/t27-/s2
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n/an/a 1.34n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347368
PNG
(US10301320, ID SW208066 | US9789116, SW208066)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1/C20H19N3OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.37n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


US Patent US10301320 (2019)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347368
PNG
(US10301320, ID SW208066 | US9789116, SW208066)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1/C20H19N3OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.37n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347391
PNG
(US9789116, SW208496)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1ncco1
Show InChI InChI=1/C20H19N3O2S2/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.37n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347368
PNG
(US10301320, ID SW208066 | US9789116, SW208066)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1/C20H19N3OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.37n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266144
PNG
(CHEMBL4097930)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1ncco1
Show InChI InChI=1S/C20H19N3O2S2/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266143
PNG
(CHEMBL4070824)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C20H19N3OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18/h4-10,12H,2-3,11,21H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM348758
PNG
(US9790233, ID SW206992)
Show SMILES CCCCC(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1S/C15H15N3OS2/c1-2-3-4-11(19)13-12(16)9-5-6-10(18-14(9)21-13)15-17-7-8-20-15/h5-8H,2-4,16H2,1H3
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n/an/a 1.41n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347365
PNG
(US10301320, ID SW206992 | US9789116, SW206992)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1/C14H15N3OS3/c1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13/h4-7H,2-3,8,15H2,1H3
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n/an/a 1.41n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


US Patent US10301320 (2019)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347365
PNG
(US10301320, ID SW206992 | US9789116, SW206992)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1/C14H15N3OS3/c1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13/h4-7H,2-3,8,15H2,1H3
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n/an/a 1.41n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347388
PNG
(US9789116, SW208488)
Show SMILES CCCCS(=O)c1sc2nc(cc(C)c2c1N)-c1cccs1
Show InChI InChI=1/C16H18N2OS3/c1-3-4-8-22(19)16-14(17)13-10(2)9-11(18-15(13)21-16)12-6-5-7-20-12/h5-7,9H,3-4,8,17H2,1-2H3
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n/an/a 1.43n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347379
PNG
(US9789116, SW211668)
Show SMILES CCCC[S@@+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3/t27-/s2
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n/an/a 1.5n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266194
PNG
(CHEMBL4071206)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3nccs3)c2c1N)-c1nccs1
Show InChI InChI=1S/C17H16N4OS4/c1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,2-3,8,18H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266196
PNG
(CHEMBL4092806)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3nccn3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C18H19N5OS3/c1-3-4-9-27(24)18-14(19)13-11(15-20-5-7-23(15)2)10-12(22-17(13)26-18)16-21-6-8-25-16/h5-8,10H,3-4,9,19H2,1-2H3
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UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266265
PNG
(CHEMBL4065035)
Show SMILES COCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C18H19N5O2S3/c1-10-21-9-13(23(10)2)11-8-12(16-20-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-5-25-3/h4,6,8-9H,5,7,19H2,1-3H3
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UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347405
PNG
(US9789116, SW209124)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3nccs3)c2c1N)-c1nccs1
Show InChI InChI=1/C17H16N4OS4/c1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,2-3,8,18H2,1H3
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n/an/a 1.83n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266184
PNG
(CHEMBL4060870)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(OCCO)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H23N3O3S3/c1-2-3-12-31(27)22-19(23)18-16(14-4-6-15(7-5-14)28-10-9-26)13-17(25-21(18)30-22)20-24-8-11-29-20/h4-8,11,13,26H,2-3,9-10,12,23H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347402
PNG
(US9789116, SW208781)
Show SMILES CCCS(=O)c1sc2nc(cc(C(=O)OCC)c2c1N)-c1cccs1
Show InChI InChI=1/C17H18N2O3S3/c1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,3-4,8,18H2,1-2H3
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n/an/a 1.99n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266193
PNG
(CHEMBL4076946)
Show SMILES CCC[S+]([O-])c1sc2nc(cc(C(=O)OCC)c2c1N)-c1cccs1
Show InChI InChI=1S/C17H18N2O3S3/c1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,3-4,8,18H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266218
PNG
(CHEMBL4076321)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C4CC4)n3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C21H23N5OS3/c1-3-4-9-30(27)21-17(22)16-13(15-11-24-18(26(15)2)12-5-6-12)10-14(25-20(16)29-21)19-23-7-8-28-19/h7-8,10-12H,3-6,9,22H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347386
PNG
(US9789116, SW208437)
Show SMILES CCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C20H18N2OS3/c1-2-11-26(23)20-18(21)17-14(13-7-4-3-5-8-13)12-15(22-19(17)25-20)16-9-6-10-24-16/h3-10,12H,2,11,21H2,1H3
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n/an/a 2.05n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347416
PNG
(US9789116, SW209276)
Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2O2S3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17/h2-5,7-9,11,13H,6,10,12,22H2,1H3
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n/an/a 2.09n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266152
PNG
(CHEMBL4082770)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CNC(=O)NCC)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C24H27N5O2S3/c1-3-5-12-34(31)23-20(25)19-17(13-18(29-22(19)33-23)21-27-10-11-32-21)16-8-6-15(7-9-16)14-28-24(30)26-4-2/h6-11,13H,3-5,12,14,25H2,1-2H3,(H2,26,28,30)
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n/an/a 2.10n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347416
PNG
(US9789116, SW209276)
Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C21H20N2O2S3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17/h2-5,7-9,11,13H,6,10,12,22H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266217
PNG
(CHEMBL4087830)
Show SMILES CCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H18N2OS3/c1-2-11-26(23)20-18(21)17-14(13-7-4-3-5-8-13)12-15(22-19(17)25-20)16-9-6-10-24-16/h3-10,12H,2,11,21H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347406
PNG
(US9789116, SW209125)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3nccn3C)c2c1N)-c1nccs1
Show InChI InChI=1/C18H19N5OS3/c1-3-4-9-27(24)18-14(19)13-11(15-20-5-7-23(15)2)10-12(22-17(13)26-18)16-21-6-8-25-16/h5-8,10H,3-4,9,19H2,1-2H3
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n/an/a 2.13n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266252
PNG
(CHEMBL4061483)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266220
PNG
(CHEMBL4059682)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)[nH]3)c2c1N)-c1nccs1
Show InChI InChI=1/C18H19N5OS3/c1-3-4-7-27(24)18-15(19)14-11(13-9-21-10(2)22-13)8-12(23-17(14)26-18)16-20-5-6-25-16/h5-6,8-9H,3-4,7,19H2,1-2H3,(H,21,22)
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n/an/a 2.30n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347436
PNG
(US9789116, SW209428)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cnc(C)[nH]3)c2c1N)-c1nccs1
Show InChI InChI=1/C18H19N5OS3/c1-3-4-7-27(24)18-15(19)14-11(13-9-21-10(2)22-13)8-12(23-17(14)26-18)16-20-5-6-25-16/h5-6,8-9H,3-4,7,19H2,1-2H3,(H,21,22)
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n/an/a 2.30n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347369
PNG
(US9789116, SW208067)
Show SMILES CCCCS(=O)c1sc2nc(nc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C20H19N3OS3/c1-2-3-12-27(24)20-16(21)15-17(13-8-5-4-6-9-13)22-18(23-19(15)26-20)14-10-7-11-25-14/h4-11H,2-3,12,21H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347369
PNG
(US9789116, SW208067)
Show SMILES CCCCS(=O)c1sc2nc(nc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1/C20H19N3OS3/c1-2-3-12-27(24)20-16(21)15-17(13-8-5-4-6-9-13)22-18(23-19(15)26-20)14-10-7-11-25-14/h4-11H,2-3,12,21H2,1H3
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UniChem
Article
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM393003
PNG
(US10301320, ID SW208067)
Show SMILES CCCCSc1sc2nc(nc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H19N3S3/c1-2-3-11-25-20-16(21)15-17(13-8-5-4-6-9-13)22-18(23-19(15)26-20)14-10-7-12-24-14/h4-10,12H,2-3,11,21H2,1H3
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US Patent
n/an/a 2.40n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


US Patent US10301320 (2019)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266263
PNG
(CHEMBL4087985)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H19N3OS3/c1-2-3-12-27(24)20-16(21)15-17(13-8-5-4-6-9-13)22-18(23-19(15)26-20)14-10-7-11-25-14/h4-11H,2-3,12,21H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347440
PNG
(US9789116, SW209511)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccc(COC(C)=O)cc3)c2c1N)-c1nccs1
Show InChI InChI=1/C23H23N3O3S3/c1-3-4-11-32(28)23-20(24)19-17(16-7-5-15(6-8-16)13-29-14(2)27)12-18(26-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266151
PNG
(CHEMBL4078333)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CNC(C)=O)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C23H24N4O2S3/c1-3-4-11-32(29)23-20(24)19-17(16-7-5-15(6-8-16)13-26-14(2)28)12-18(27-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3,(H,26,28)
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UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50266153
PNG
(CHEMBL4073304)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CO)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C21H21N3O2S3/c1-2-3-10-29(26)21-18(22)17-15(14-6-4-13(12-25)5-7-14)11-16(24-20(17)28-21)19-23-8-9-27-19/h4-9,11,25H,2-3,10,12,22H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347439
PNG
(US9789116, SW209510)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccc(CO)cc3)c2c1N)-c1nccs1
Show InChI InChI=1/C21H21N3O2S3/c1-2-3-10-29(26)21-18(22)17-15(14-6-4-13(12-25)5-7-14)11-16(24-20(17)28-21)19-23-8-9-27-19/h4-9,11,25H,2-3,10,12,22H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM347437
PNG
(US9789116, SW209508)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cccc(c3)C(=O)NCC=C)c2c1N)-c1nccs1
Show InChI InChI=1/C24H24N4O2S3/c1-3-5-12-33(30)24-20(25)19-17(14-18(28-23(19)32-24)22-27-10-11-31-22)15-7-6-8-16(13-15)21(29)26-9-4-2/h4,6-8,10-11,13-14H,2-3,5,9,12,25H2,1H3,(H,26,29)
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n/an/a 2.5n/an/an/an/an/an/a



Case Western Reserve University

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
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