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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50000956   
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))
BDBM50266122
PNG
(CHEMBL4070789)
Show SMILES CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1 |r|
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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0.0600n/an/an/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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0.100n/an/an/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of 15-PGDH (unknown origin) using PGE2 as substrate preincubated for 12 hrs followed by dialysis for 12 hrs and subsequent addition of NAD...


J Med Chem 60: 3979-4001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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 |r|
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347379
PNG
(US10869871, ID # SW211668-(33291-R | US20230285402...)
Show SMILES CCCC[S@@+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1 |r|
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/t27-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347416
PNG
(US10869871, ID # SW209276 | US20230285402, ID # SW...)
Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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=1S/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
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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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266131
PNG
(CHEMBL4072938)
Show SMILES CCCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C22H22N2OS3/c1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18/h4-6,8-12,14H,2-3,7,13,23H2,1H3
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266264
PNG
(CHEMBL4092188)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1cocn1
Show InChI InChI=1S/C19H18N4O2S2/c1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13/h4-8,10-11H,2-3,9,20H2,1H3
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n/an/a 2.60n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266195
PNG
(CHEMBL4065965)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266227
PNG
(CHEMBL4091755)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nc(C)cs1
Show InChI InChI=1S/C20H23N5OS3/c1-5-6-7-29(26)20-17(21)16-13(15-9-22-12(3)25(15)4)8-14(24-19(16)28-20)18-23-11(2)10-27-18/h8-10H,5-7,21H2,1-4H3
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n/an/a 2.80n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266183
PNG
(CHEMBL4083695)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CCO)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H23N3O2S3/c1-2-3-12-30(27)22-19(23)18-16(15-6-4-14(5-7-15)8-10-26)13-17(25-21(18)29-22)20-24-9-11-28-20/h4-7,9,11,13,26H,2-3,8,10,12,23H2,1H3
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n/an/a 2.90n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266219
PNG
(CHEMBL4082396)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cnc(Cl)n3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C18H18ClN5OS3/c1-3-4-7-28(25)17-14(20)13-10(12-9-22-18(19)24(12)2)8-11(23-16(13)27-17)15-21-5-6-26-15/h5-6,8-9H,3-4,7,20H2,1-2H3
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266126
PNG
(CHEMBL4099821)
Show SMILES CC(C)[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H18N2OS3/c1-12(2)26(23)20-18(21)17-14(13-7-4-3-5-8-13)11-15(22-19(17)25-20)16-9-6-10-24-16/h3-12H,21H2,1-2H3
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n/an/a 3.20n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266228
PNG
(CHEMBL4074740)
Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H21N5O2S3/c1-11-22-10-14(24(11)2)12-9-13(17-21-5-7-27-17)23-18-15(12)16(20)19(28-18)29(25)8-4-6-26-3/h5,7,9-10H,4,6,8,20H2,1-3H3
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n/an/a 3.30n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266182
PNG
(CHEMBL4095639)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cccc(c3)C(=O)NCCO)c2c1N)-c1nccs1
Show InChI InChI=1S/C23H24N4O3S3/c1-2-3-11-33(30)23-19(24)18-16(13-17(27-22(18)32-23)21-26-8-10-31-21)14-5-4-6-15(12-14)20(29)25-7-9-28/h4-6,8,10,12-13,28H,2-3,7,9,11,24H2,1H3,(H,25,29)
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266180
PNG
(CHEMBL4070888)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(cc3)C(O)=O)c2c1N)-c1nccs1
Show InChI InChI=1S/C21H19N3O3S3/c1-2-3-10-30(27)21-17(22)16-14(12-4-6-13(7-5-12)20(25)26)11-15(24-19(16)29-21)18-23-8-9-28-18/h4-9,11H,2-3,10,22H2,1H3,(H,25,26)
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266258
PNG
(CHEMBL4067423)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(COC(=O)NCC)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C24H26N4O3S3/c1-3-5-12-34(30)23-20(25)19-17(13-18(28-22(19)33-23)21-27-10-11-32-21)16-8-6-15(7-9-16)14-31-24(29)26-4-2/h6-11,13H,3-5,12,14,25H2,1-2H3,(H,26,29)
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266154
PNG
(CHEMBL4093974)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(COC(=O)CN(C)C)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C25H28N4O3S3/c1-4-5-12-35(31)25-22(26)21-18(13-19(28-24(21)34-25)23-27-10-11-33-23)17-8-6-16(7-9-17)15-32-20(30)14-29(2)3/h6-11,13H,4-5,12,14-15,26H2,1-3H3
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266261
PNG
(CHEMBL4101700)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(cc3)C(C)(C)O)c2c1N)-c1nccs1
Show InChI InChI=1S/C23H25N3O2S3/c1-4-5-12-31(28)22-19(24)18-16(14-6-8-15(9-7-14)23(2,3)27)13-17(26-21(18)30-22)20-25-10-11-29-20/h6-11,13,27H,4-5,12,24H2,1-3H3
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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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266224
PNG
(CHEMBL4077682)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1nccn1C
Show InChI InChI=1S/C20H21N5OS2/c1-3-4-12-28(26)20-15(21)14-16(13-8-6-5-7-9-13)23-17(24-19(14)27-20)18-22-10-11-25(18)2/h5-11H,3-4,12,21H2,1-2H3
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n/an/a 3.70n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347425
PNG
(US10869871, ID # SW209330 | US20230285402, ID # SW...)
Show SMILES Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1cccs1)[S+]([O-])CCCCl
Show InChI InChI=1S/C20H17ClN2OS3/c21-9-5-11-27(24)20-18(22)17-14(13-6-2-1-3-7-13)12-15(23-19(17)26-20)16-8-4-10-25-16/h1-4,6-8,10,12H,5,9,11,22H2
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n/an/a 4n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266259
PNG
(CHEMBL4064717)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cccc(CO)c3)c2c1N)-c1nccs1
Show InChI InChI=1S/C21H21N3O2S3/c1-2-3-9-29(26)21-18(22)17-15(14-6-4-5-13(10-14)12-25)11-16(24-20(17)28-21)19-23-7-8-27-19/h4-8,10-11,25H,2-3,9,12,22H2,1H3
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n/an/a 4.30n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266156
PNG
(CHEMBL4104628)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H24N4O3S4/c1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29/h5-10,12,25H,3-4,11,13,23H2,1-2H3
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n/an/a 4.60n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266222
PNG
(CHEMBL4066687)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1ccccc1
Show InChI InChI=1S/C22H21N3OS2/c1-2-3-14-28(26)22-18(23)17-19(15-10-6-4-7-11-15)24-20(25-21(17)27-22)16-12-8-5-9-13-16/h4-13H,2-3,14,23H2,1H3
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n/an/a 4.90n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266192
PNG
(CHEMBL4099213)
Show SMILES CCC[S+]([O-])c1sc2nc(cc(C)c2c1N)-c1nccs1
Show InChI InChI=1S/C14H15N3OS3/c1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12/h4-5,7H,3,6,15H2,1-2H3
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n/an/a 5.30n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266235
PNG
(CHEMBL4099492)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(cc3)C(=O)N(C)C)c2c1N)-c1nccs1
Show InChI InChI=1S/C23H24N4O2S3/c1-4-5-12-32(29)23-19(24)18-16(14-6-8-15(9-7-14)22(28)27(2)3)13-17(26-21(18)31-23)20-25-10-11-30-20/h6-11,13H,4-5,12,24H2,1-3H3
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n/an/a 5.90n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347426
PNG
(US10869871, ID # SW209331 | US20230285402, ID # SW...)
Show SMILES Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1cccs1)[S+]([O-])CCCF
Show InChI InChI=1S/C20H17FN2OS3/c21-9-5-11-27(24)20-18(22)17-14(13-6-2-1-3-7-13)12-15(23-19(17)26-20)16-8-4-10-25-16/h1-4,6-8,10,12H,5,9,11,22H2
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n/an/a 6.10n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266145
PNG
(CHEMBL4074636)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1nccn1C
Show InChI InChI=1S/C21H22N4OS2/c1-3-4-12-28(26)21-18(22)17-15(14-8-6-5-7-9-14)13-16(24-20(17)27-21)19-23-10-11-25(19)2/h5-11,13H,3-4,12,22H2,1-2H3
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n/an/a 6.70n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347427
PNG
(US10869871, ID # SW209332 | US20230285402, ID # SW...)
Show SMILES Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1cccs1)[S+]([O-])CCCC#N
Show InChI InChI=1S/C21H17N3OS3/c22-10-4-5-12-28(25)21-19(23)18-15(14-7-2-1-3-8-14)13-16(24-20(18)27-21)17-9-6-11-26-17/h1-3,6-9,11,13H,4-5,12,23H2
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n/an/a 8.70n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266260
PNG
(CHEMBL4091753)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cccc(c3)C(=O)OC)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H21N3O3S3/c1-3-4-10-31(27)22-18(23)17-15(13-6-5-7-14(11-13)21(26)28-2)12-16(25-20(17)30-22)19-24-8-9-29-19/h5-9,11-12H,3-4,10,23H2,1-2H3
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n/an/a 9n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266155
PNG
(CHEMBL4086213)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CN)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C21H22N4OS3/c1-2-3-10-29(26)21-18(23)17-15(14-6-4-13(12-22)5-7-14)11-16(25-20(17)28-21)19-24-8-9-27-19/h4-9,11H,2-3,10,12,22-23H2,1H3
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n/an/a 12n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266251
PNG
(CHEMBL4076464)
Show SMILES CCC[S+]([O-])c1sc2nc(cc(C(=O)N(C)C)c2c1N)-c1cccs1
Show InChI InChI=1S/C17H19N3O2S3/c1-4-8-25(22)17-14(18)13-10(16(21)20(2)3)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,4,8,18H2,1-3H3
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n/an/a 15n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266157
PNG
(CHEMBL4063666)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(cc3)C(=O)OC)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H21N3O3S3/c1-3-4-11-31(27)22-18(23)17-15(13-5-7-14(8-6-13)21(26)28-2)12-16(25-20(17)30-22)19-24-9-10-29-19/h5-10,12H,3-4,11,23H2,1-2H3
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n/an/a 15n/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)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
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