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Compile Data Set for Download or QSAR

Found 576 hits with Last Name = 'markowitz' and Initial = 's'   
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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Article
PubMed
0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01299
BindingDB Entry DOI: 10.7270/Q23X8BSB
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
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650862
PNG
(US20240043440, Example 58B)
PDB
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n/an/a 0.130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650874
PNG
(US20240043440, Example 64A)
PDB
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n/an/a 0.360n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor5 15-pgdh


(Homo sapiens (Human))
BDBM650800
PNG
(US20240043440, Example 16 | US20240043440, Example...)
PDB
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n/an/a 0.400n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650868
PNG
(US20240043440, Example 61A)
PDB
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n/an/a 0.440n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650855
PNG
(US20240043440, Example 54A)
PDB
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n/an/a 0.450n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650883
PNG
(US20240043440, Example 68A)
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n/an/a 0.480n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650865
PNG
(US20240043440, Example 60A)
PDB
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n/an/a 0.5n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650892
PNG
(US20240043440, Example 74A)
PDB
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n/an/a 0.520n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650881
PNG
(US20240043440, Example 67A)
PDB
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n/an/a 0.520n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650861
PNG
(US20240043440, Example 58A)
PDB
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n/an/a 0.550n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650871
PNG
(US20240043440, Example 62A)
PDB
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n/an/a 0.560n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650908
PNG
(US20240043440, Example 86A)
PDB
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n/an/a 0.560n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650847
PNG
(US20240043440, Example 50A)
PDB
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n/an/a 0.570n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650834
PNG
(US20240043440, Example 43A)
PDB
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n/an/a 0.580n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650832
PNG
(US20240043440, Example 42B)
PDB
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n/an/a 0.590n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650877
PNG
(US20240043440, Example 65A)
PDB
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n/an/a 0.590n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650841
PNG
(US20240043440, Example 47A)
PDB
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n/an/a 0.650n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650838
PNG
(US20240043440, Example 46A)
PDB
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n/an/a 0.700n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650843
PNG
(US20240043440, Example 48A)
PDB
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n/an/a 0.720n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650826
PNG
(US20240043440, Example 39A)
PDB
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n/an/a 0.720n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650829
PNG
(US20240043440, Example 41A)
PDB
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n/an/a 0.730n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650852
PNG
(US20240043440, Example 52A)
PDB
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n/an/a 0.75n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650901
PNG
(US20240043440, Example 81)
PDB
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n/an/a 0.760n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
enzyme inhibitor5 15-pgdh


(Homo sapiens (Human))
BDBM650796
PNG
(US20240043440, Example 12 | US20240043440, Example...)
PDB
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n/an/a 0.760n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650823
PNG
(US20240043440, Example 38A)
PDB
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n/an/a 0.760n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM347359
PNG
(US10301320, ID SW033291 | US10869871, ID # SW03329...)
Show SMILES CCCCS(=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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MCE
PC cid
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US Patent
n/an/a 0.760n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System; University of Kentucky Research Foundation

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)


BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650911
PNG
(US20240043440, Example 89A)
PDB
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n/an/a 0.770n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650854
PNG
(US20240043440, Example 54)
PDB
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n/an/a 0.820n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650886
PNG
(US20240043440, Example 70)
PDB
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n/an/a 0.880n/an/an/an/an/an/a


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Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650863
PNG
(US20240043440, Example 59)
PDB
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n/an/a 0.910n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650888
PNG
(US20240043440, Example 72)
PDB
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n/an/a 0.930n/an/an/an/an/an/a


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Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US10869871, ID # SW20698...)
Show SMILES CCCCS(=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 0.970n/an/an/an/an/an/a



GSK



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...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2BV7JZ5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US10869871, ID # SW20698...)
Show SMILES CCCCS(=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 0.970n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System

US Patent


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


US Patent US9789116 (2017)


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


(Homo sapiens (Human))
BDBM347365
PNG
(US10301320, ID SW206992 | US10869871, ID # SW20699...)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1S/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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US Patent
n/an/a 0.970n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System; University of Kentucky Research Foundation

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)


BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650887
PNG
(US20240043440, Example 71)
PDB
MMDB

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n/an/a 0.980n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650897
PNG
(US20240043440, Example 78-A)
PDB
MMDB

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n/an/a 1n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650902
PNG
(US20240043440, Example 82)
PDB
MMDB

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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))
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
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650857
PNG
(US20240043440, Example 55)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650849
PNG
(US20240043440, Example 51)
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650899
PNG
(US20240043440, Example 79-A)
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650889
PNG
(US20240043440, Example 73)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650880
PNG
(US20240043440, Example 67)
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650867
PNG
(US20240043440, Example 61)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650876
PNG
(US20240043440, Example 65)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
BDBM650840
PNG
(US20240043440, Example 47)
PDB
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More data for this
Ligand-Target Pair
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